chempirical

2-[[(3-Amino-4-hydroxyphenyl)sulfonyl]amino]benzoic acid

C13H12N2O5SCAS 91-35-0308.31 g/mol

Open in Covalent MOL file
H2NSOONHOOHHO
Carboxylic acidPhenolPrimary amineSulfonamide

Properties

Molecular formula
C13H12N2O5S
Molar mass
308.31 g/mol
Exact mass
308.0467 Da
Melting point
213–215 °C
logP
1.47Crippen estimate
Polar surface area
129.7 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
4

Identifiers

CAS number
91-35-0
SMILES
Nc1cc(S(=O)(=O)Nc2ccccc2C(=O)O)ccc1O
InChIKey
ISDVREGLMJJFJG-UHFFFAOYSA-N
InChI
InChI=1S/C13H12N2O5S/c14-10-7-8(5-6-12(10)16)21(19,20)15-11-4-2-1-3-9(11)13(17)18/h1-7,15-16H,14H2,(H,17,18)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Benzoic acid, 2-[[(3-amino-4-hydroxyphenyl)sulfonyl]amino]-
  • Anthranilic acid, N-(4-hydroxymetanilyl)-
  • N-(4-Hydroxymetanilyl)anthranilic acid
  • 2-(3-Amino-4-hydroxyphenylsulfonamido)benzoicacid
  • 2-(3-Amino-4-hydroxyphenylsulfonamido)benzoic acid

Work with 2-[[(3-Amino-4-hydroxyphenyl)sulfonyl]amino]benzoic acid

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

3-Amino-4-hydroxy-N-methylbenzenesulfonamide80-23-951 % similar 3-Amino-N-ethyl-4-hydroxybenzenesulfonamide41606-61-549 % similar 3-Amino-4-hydroxy-N-methylbenzene-1-sulfonamide hydrochloride85237-56-548 % similar 3-Amino-4-hydroxybenzoic acid1571-72-846 % similar Sulfasalazine599-79-145 % similar 2-Amino-4-sulfobenzoic acid98-43-145 % similar Abps7545-50-845 % similar Anthranilic acid118-92-343 % similar

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

Same formula

Nimesulide51803-78-2

Elsewhere

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