Sulfacetamide sodium salt hydrate - analytical standard , CAS No.127-56-0

CAS: 127-56-0 Cat. No.: S114285 Molecular Weight: 236.22 Beilstein Registry Number: 4220398 EC Number: 204-848-4 PubChem CID: 4022878

GRADE & PURITY Analytical standard

Synonyms

Beocid-isoptal | EN300-9399099 | N-Acetyl-4-aminobenzenesulfonamide Sodium Salt | Sulfacetamide, sodium | Oc-U-Mid | Sulfacyl sol | Sulfacylum | ACETAMIDE, N-SULFANILYL-, MONOSODIUM SALT | Bleph 10 | s4081 | Sulfacyl sodium | SW196656-2 | Albucide | AS-13

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Beocid-isoptal | EN300-9399099 | N-Acetyl-4-aminobenzenesulfonamide Sodium Salt | Sulfacetamide, sodium | Oc-U-Mid | Sulfacyl sol | Sulfacylum | ACETAMIDE, N-SULFANILYL-, MONOSODIUM SALT | Bleph 10 | s4081 | Sulfacyl sodium | SW196656-2 | Albucide | AS-13

Specifications & Purity

analytical standard

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Names and Identifiers

• Canonical Smiles: CC(=O)[N-]S(=O)(=O)C1=CC=C(C=C1)N.[Na+]
• IUPAC Name: sodium;acetyl-(4-aminophenyl)sulfonylazanide
• InChIKey: PQMSFAORUFMASU-UHFFFAOYSA-M
• INCHI: 1S/C8H10N2O3S.Na/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;/h2-5H,9H2,1H3,(H,10,11);/q;+1/p-1
• Isomeric SMILES: CC(=O)[N-]S(=O)(=O)C1=CC=C(C=C1)N.[Na+]
• WGK Germany: 3
• RTECS: AC8480000
• PubChem CID: 4022878
• Molecular Weight: 236.22
• Beilstein: 4220398

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Aniline and substituted anilines Sulfonyls Organosulfonic acids and derivatives Amino acids and derivatives Carbene-type 1,3-dipolar compounds Primary amines Organopnictogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Amino acid or derivatives - Carboxylic acid derivative - Organic alkali metal salt - Carbene-type 1,3-dipolar compound - Organic 1,3-dipolar compound - Amine - Organic salt - Organic zwitterion - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• External Descriptors: organic sodium salt

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

Associated Targets(Human)

ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

Discover Target: ABCC2

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ABCB11 Tchem Bile salt export pump (2311 Activities)

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ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

Discover Target: ABCC3

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Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Bacillus subtilis (32866 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 183°C
• Molecular Weight: 236.230 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 236.023 Da
• Monoisotopic Mass: 236.023 Da
• Topological Polar Surface Area: 86.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 304.000
• 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: 2

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