Sulfaproxyllin - Moligand™, ≥98% , CAS No.116-42-7

CAS: 116-42-7 Cat. No.: S694166 Summenformel: C₁₆H₁₈N₂O₄S Molekulargewicht: 334.39 EG-Nummer: 204-140-5

GRADE & PURITY Moligand™, ≥98%

Synonyms

Sulfaproxylin | Sulfaproxyline

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Übersicht

Sulfaproxiline is a synthetic antimicrobial agent that is sulfonamide.

Specifications

Synonyme

Sulfaproxylin | Sulfaproxyline

Spezifikationen & Reinheit

Moligand™, ≥98%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INHIBITOR

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: CC(C)OC1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)N
• IUPAC Name: N-(4-aminophenyl)sulfonyl-4-propan-2-yloxybenzamide
• InChIKey: FBFBRAFXKGRRHI-UHFFFAOYSA-N
• INCHI: 1S/C16H18N2O4S/c1-11(2)22-14-7-3-12(4-8-14)16(19)18-23(20,21)15-9-5-13(17)6-10-15/h3-11H,17H2,1-2H3,(H,18,19)
• Isomere SMILES: CC(C)OC1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)N
• Alternative CAS-Nummer: 116-42-7
• NSC-Nummer: 120646
• MeSH-Eintrag: N-((4-aminophenyl)sulfonyl)-4-(1-methylethoxy)benzamide;sulfaproxyline
• Molekulargewicht: 334.39

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: Benzoic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Benzoyl derivatives Aniline and substituted anilines Alkyl aryl ethers Organosulfonic acids and derivatives Aminosulfonyl compounds Amino acids and derivatives Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Benzoic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Benzoyl - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid or derivatives - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - 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: Not available

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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Molekulargewicht: 334.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 334.099 Da
• Monoisotopic Mass: 334.099 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 485.000
• 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