Xipamide

C₁₅H₁₅ClN₂O₄SCAS 14293-44-8354.81 g/mol

Open in Covalent MOL file

Aryl halide Phenol Sulfonamide

Properties

Molecular formula: C₁₅H₁₅ClN₂O₄S
Molar mass: 354.81 g/mol
Exact mass: 354.0441 Da
Melting point: 256 °C
logP: 2.95Crippen estimate
Polar surface area: 113.0 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H315 Causes skin irritation85.4% of notifiers
H319 Causes serious eye irritation85.4% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

14293-44-8

SMILES

Cc1cccc(C)c1N=C(O)c1cc(S(N)(=O)=O)c(Cl)cc1O

InChIKey

MTZBBNMLMNBNJL-UHFFFAOYSA-N

InChI

InChI=1S/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h3-7,19H,1-2H3,(H,18,20)(H2,17,21,22)

Weigh it out

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

Names and synonyms

13 names · show all

Benzamide, 5-(aminosulfonyl)-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-
2′,6′-Salicyloxylidide, 4-chloro-5-sulfamoyl-
5-(Aminosulfonyl)-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxybenzamide
Aquaphor (diuretic)
BE 1293
Aquaphor
BEI 1293
Diurex
Diurex (lacer)
MJF 10938
Lumitens
Diurexan
Chronexan

Work with Xipamide

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

4-Chloro-5-sulfamoylsalicylic acid14556-98-057 % similar 5-(Aminosulfonyl)-2,4-dichlorobenzoic acid2736-23-445 % similar 4-Amino-2-chloro-5-hydroxybenzenesulfonamide41606-65-944 % similar 4-Chloro-2,5-dimethylbenzenesulfonamide219689-73-344 % similar Chlorthalidone77-36-142 % similar 4-Chloro-2-fluoro-5-sulfamoylbenzoic acid4793-22-042 % similar Metolazone17560-51-942 % similar 3-Hydroxy-N-(2-methylphenyl)-2-naphthalenecarboxamide135-61-541 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook