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A1AOP

Summary
Name:5-fluoro-N-[2-(methanesulfonyl)-4-(pyridin-4-yl)phenyl]-3-methyl-1-benzothiophene-2-sulfonamide
Formula:C21 H17 F N2 O4 S3
Formal charge:0
Formula weight:476.564 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-fluoro-N-[2-(methanesulfonyl)-4-(pyridin-4-yl)phenyl]-3-methyl-1-benzothiophene-2-sulfonamide
OpenEye OEToolkits2.0.75-fluoranyl-3-methyl-~{N}-(2-methylsulfonyl-4-pyridin-4-yl-phenyl)-1-benzothiophene-2-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CS(=O)(=O)c1cc(ccc1NS(=O)(=O)c1sc2ccc(F)cc2c1C)c1ccncc1
InChIInChI1.06InChI=1S/C21H17FN2O4S3/c1-13-17-12-16(22)4-6-19(17)29-21(13)31(27,28)24-18-5-3-15(11-20(18)30(2,25)26)14-7-9-23-10-8-14/h3-12,24H,1-2H3
InChIKeyInChI1.06XLVCHEKKOPQXJW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1c2cc(F)ccc2sc1[S](=O)(=O)Nc3ccc(cc3[S](C)(=O)=O)c4ccncc4
SMILESCACTVS3.385Cc1c2cc(F)ccc2sc1[S](=O)(=O)Nc3ccc(cc3[S](C)(=O)=O)c4ccncc4
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c2cc(ccc2sc1S(=O)(=O)Nc3ccc(cc3S(=O)(=O)C)c4ccncc4)F
SMILESOpenEye OEToolkits2.0.7Cc1c2cc(ccc2sc1S(=O)(=O)Nc3ccc(cc3S(=O)(=O)C)c4ccncc4)F

255615

PDB entries from 2026-06-24

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