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E1F

Summary
Name:2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
Formula:C12 H10 Cl N3 O3 S2
Formal charge:0
Formula weight:343.809 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
OpenEye OEToolkits1.7.62-chloranyl-4-(2-pyrimidin-2-ylsulfanylethanoyl)benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N)c2ccc(C(=O)CSc1ncccn1)cc2Cl
InChIInChI1.03InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)
InChIKeyInChI1.03ZQEDEEFNLDNUEW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370N[S](=O)(=O)c1ccc(cc1Cl)C(=O)CSc2ncccn2
SMILESCACTVS3.370N[S](=O)(=O)c1ccc(cc1Cl)C(=O)CSc2ncccn2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cnc(nc1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N
SMILESOpenEye OEToolkits1.7.6c1cnc(nc1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N

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PDB entries from 2026-01-14

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