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KLT

Summary
Name:2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide
Synonyms:chlorthalidone
Formula:C14 H11 Cl N2 O4 S
Formal charge:0
Formula weight:338.766 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-chloro-5-[(1S)-1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl]benzenesulfonamide
OpenEye OEToolkits1.5.02-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(N)c1c(Cl)ccc(c1)C2(O)c3ccccc3C(=O)N2
SMILES_CANONICALCACTVS3.341N[S](=O)(=O)c1cc(ccc1Cl)[C@@]2(O)NC(=O)c3ccccc23
SMILESCACTVS3.341N[S](=O)(=O)c1cc(ccc1Cl)[C]2(O)NC(=O)c3ccccc23
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2c(c1)C(=O)N[C@@]2(c3ccc(c(c3)S(=O)(=O)N)Cl)O
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)C(=O)NC2(c3ccc(c(c3)S(=O)(=O)N)Cl)O
InChIInChI1.03InChI=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-/m0/s1
InChIKeyInChI1.03JIVPVXMEBJLZRO-AWEZNQCLSA-N

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PDB entries from 2024-07-10

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