Sulfacetamide - Moligand™, analytical standard , CAS No.144-80-9

CAS: 144-80-9 Cat. No.: S114284 Summenformel: C₈H₁₀N₂O₃S Molekulargewicht: 214.24 Beilstein Registry Number: 981718 EG-Nummer: 205-640-6 PubChem CID: 5320

QUALITÄT & REINHEIT Analytical standard, Moligand™

Synonyms

N-Acetyl-4-aminobenzenesulfonamide | N-acetyl-4-amino-benzenesulfonamide | Sulfacylum | N-(4-Aminophenylsulfonyl)acetamide | Sulfacetimide | SMR000058173 | Sulphasil | Acetamide, N-sulfanilyl- | Oclucid | Caswell No. 808A | NSC63871 | NSC-63871 | FML-S |

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

N-Acetyl-4-aminobenzenesulfonamide | N-acetyl-4-amino-benzenesulfonamide | Sulfacylum | N-(4-Aminophenylsulfonyl)acetamide | Sulfacetimide | SMR000058173 | Sulphasil | Acetamide, N-sulfanilyl- | Oclucid | Caswell No. 808A | NSC63871 | NSC-63871 | FML-S |

Spezifikationen & Reinheit

Moligand™, analytical standard

Storage

Room temperature

Verschickt in

Normal

Note

Analytischer Standard, Moligand™

Produkteigenschaften

ALogP

-1

Namen und Kennungen

Pubchem Sid

528774422

Kanonisches Lächeln

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N

IUPAC Name

N-(4-aminophenyl)sulfonylacetamide

InChIKey

SKIVFJLNDNKQPD-UHFFFAOYSA-N

INCHI

1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)

Isomere SMILES

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N

WGK Deutschland

2

RTECS

AC8450000

PubChem CID

5320

Molekulargewicht

214.24

Beilstein

981718

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminobenzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Aniline and substituted anilines Organosulfonic acids and derivatives Aminosulfonyl compounds Acetamides Amino acids and derivatives Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Acetamide - Aminosulfonyl compound - Amino acid or derivatives - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.
• External Descriptors: substituted aniline - sulfonamide

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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DHFR Tclin Dihydrofolate reductase (3072 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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HRH2 Tclin Histamine H2 receptor (5428 Activities)

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HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

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HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)

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AVPR2 Tclin Vasopressin V2 receptor (2912 Activities)

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AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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HRH1 Tclin Histamine H1 receptor (7573 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)

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OPRD1 Tclin Delta opioid receptor (15096 Activities)

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OPRK1 Tclin Kappa opioid receptor (16155 Activities)

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HTR3A Tclin Serotonin 3a (5-HT3a) receptor (3366 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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GRIN1 Tclin Glutamate (NMDA) receptor subunit zeta 1 (122 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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CACNA1C Tclin Voltage-gated L-type calcium channel alpha-1C subunit (766 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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SLC29A1 Tclin Equilibrative nucleoside transporter 1 (1711 Activities)

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ADRA2B Tclin Alpha-2b adrenergic receptor (4412 Activities)

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CHRM3 Tclin Muscarinic acetylcholine receptor M3 (7750 Activities)

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

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TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

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ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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BDKRB2 Tclin Bradykinin B2 receptor (3970 Activities)

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CXCL8 Tchem Interleukin-8 (642 Activities)

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Npy1r Neuropeptide Y receptor type 1 (8 Activities)

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Cckar Cholecystokinin A receptor (90 Activities)

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Pde4d Phosphodiesterase 4D (4 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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folP Dihydropteroate synthase (129 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Pasteurella multocida (1166 Activities)

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Micrococcus luteus (7463 Activities)

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Candida albicans (78123 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 179-184°C
• Molekulargewicht: 214.240 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 214.041 Da
• Monoisotopic Mass: 214.041 Da
• Topological Polar Surface Area: 97.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 299.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1