chempirical

4-Carboxybenzenesulfonamide

C7H7NO4SCAS 138-41-0201.20 g/mol

Open in Covalent MOL file
NH2SOOOOH
Carboxylic acidSulfonamide

Properties

Molecular formula
C7H7NO4S
Molar mass
201.20 g/mol
Exact mass
201.0096 Da
Melting point
290.5 °C (decomposes)
logP
0.03Crippen estimate
Polar surface area
97.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
138-41-0
SMILES
NS(=O)(=O)c1ccc(C(=O)O)cc1
InChIKey
UCAGLBKTLXCODC-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)

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Names and synonyms

16 names · show all
  • Benzoic acid, 4-(aminosulfonyl)-
  • Benzoic acid, p-sulfamoyl-
  • Benzoic acid, p-sulfamyl-
  • 4-(Aminosulfonyl)benzoic acid
  • Benzoic acid p-sulfamide
  • p-Carboxybenzenesulfonamide
  • Carzenide
  • Dirnate
  • p-Sulfamoylbenzoic acid
  • p-Sulfamylbenzoic acid
  • p-Sulfonamidobenzoic acid
  • p-Aminobenzoic acid sulfamide
  • 4-Sulfamoylbenzoic acid
  • NSC 22976
  • NSC 683540
  • p-Aminosulfonylbenzoic acid

Work with 4-Carboxybenzenesulfonamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Terephthalic acid100-21-058 % similar 4-Acetylbenzenesulfonamide1565-17-958 % similar 4-(Methylsulfonyl)benzoic acid4052-30-658 % similar 2-Amino-5-(aminosulfonyl)benzoic acid137-65-557 % similar 4-Chloro-3-sulfamoylbenzoic acid1205-30-755 % similar 5-(Aminosulfonyl)-2-chlorobenzoic acid97-04-155 % similar Halazone80-13-753 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook