5-(Aminosulfonyl)-4-chloro-2-hydroxybenzoic acid

C₇H₆ClNO₅SCAS 14556-98-0251.64 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Phenol Sulfonamide

Properties

Molecular formula: C₇H₆ClNO₅S
Molar mass: 251.64 g/mol
Exact mass: 250.9655 Da
Melting point: 258–260 °C
logP: 0.39Crippen estimate
Polar surface area: 117.7 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 2

Identifiers

CAS number

14556-98-0

SMILES

NS(=O)(=O)c1cc(C(=O)O)c(O)cc1Cl

InChIKey

FHNZKRYMWHCXME-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClNO5S/c8-4-2-5(10)3(7(11)12)1-6(4)15(9,13)14/h1-2,10H,(H,11,12)(H2,9,13,14)

Weigh it out

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

Names and synonyms

3 names

Benzoic acid, 5-(aminosulfonyl)-4-chloro-2-hydroxy-
Salicylic acid, 4-chloro-5-sulfamoyl-
BE 1070

Work with 5-(Aminosulfonyl)-4-chloro-2-hydroxybenzoic 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

5-(Aminosulfonyl)-2,4-dichlorobenzoic acid2736-23-476 % similar 4-Chloro-3-sulfamoylbenzoic acid1205-30-758 % similar Xipamide14293-44-857 % similar 4-Amino-2-chloro-5-hydroxybenzenesulfonamide41606-65-955 % similar 5-(Aminosulfonyl)-2-chlorobenzoic acid97-04-155 % similar 2,5-Dihydroxyterephthalic acid610-92-450 % similar 5-Bromo-2,4-dihydroxybenzoic acid7355-22-849 % similar 3-(Aminosulfonyl)-4-chlorobenzoyl chloride70049-77-346 % similar

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

Same formula

2-Methoxy-4-nitrobenzenesulfonyl chloride21320-91-2

Elsewhere

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