4-Chloro-5-sulfamoylsalicylic acid

C7H6ClNO5SCAS 14556-98-0251.64 g/mol

Open in Covalent MOL file
H2NSOOOHOOHCl
Aryl halideCarboxylic acidPhenolSulfonamide

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 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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

Work with 4-Chloro-5-sulfamoylsalicylic 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-2-fluoro-5-sulfamoylbenzoic acid4793-22-069 % 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 Fusid54-31-952 % similar 2,5-Dihydroxyterephthalic acid610-92-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook