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A1CIB

Summary
Name:2-chloro-5-[(1R)-1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl]benzene-1-sulfonamide
Synonyms:chlorthalidone
Formula:C14 H11 Cl N2 O4 S
Formal charge:0
Formula weight:338.766 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.522-chloro-5-[(1R)-1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl]benzene-1-sulfonamide
OpenEye OEToolkits3.1.0.02-chloranyl-5-[(1~{R})-1-oxidanyl-3-oxidanylidene-2~{H}-isoindol-1-yl]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NS(=O)(=O)c1cc(ccc1Cl)C1(O)NC(=O)c2ccccc21
InChIInChI1.06InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)/t14-/m1/s1
InChIKeyInChI1.06JIVPVXMEBJLZRO-CQSZACIVSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)c1cc(ccc1Cl)[C@]2(O)NC(=O)c3ccccc23
SMILESCACTVS3.385N[S](=O)(=O)c1cc(ccc1Cl)[C]2(O)NC(=O)c3ccccc23
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc2c(c1)C(=O)N[C@]2(c3ccc(c(c3)S(=O)(=O)N)Cl)O
SMILESOpenEye OEToolkits3.1.0.0c1ccc2c(c1)C(=O)NC2(c3ccc(c(c3)S(=O)(=O)N)Cl)O

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PDB entries from 2026-06-03

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