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A1C1I

Summary
Name:4-{[(2-fluorophenyl)methyl]sulfamoyl}-1H-pyrrole-2-carboxylic acid
Formula:C12 H11 F N2 O4 S
Formal charge:0
Formula weight:298.29 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.524-{[(2-fluorophenyl)methyl]sulfamoyl}-1H-pyrrole-2-carboxylic acid
OpenEye OEToolkits3.1.0.04-[(2-fluorophenyl)methylsulfamoyl]-1~{H}-pyrrole-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52OC(=O)c1cc(c[NH]1)S(=O)(=O)NCc1ccccc1F
InChIInChI1.06InChI=1S/C12H11FN2O4S/c13-10-4-2-1-3-8(10)6-15-20(18,19)9-5-11(12(16)17)14-7-9/h1-5,7,14-15H,6H2,(H,16,17)
InChIKeyInChI1.06CQBRGMHYRMDIJE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1[nH]cc(c1)[S](=O)(=O)NCc2ccccc2F
SMILESCACTVS3.385OC(=O)c1[nH]cc(c1)[S](=O)(=O)NCc2ccccc2F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(c(c1)CNS(=O)(=O)c2cc([nH]c2)C(=O)O)F
SMILESOpenEye OEToolkits3.1.0.0c1ccc(c(c1)CNS(=O)(=O)c2cc([nH]c2)C(=O)O)F

258735

PDB entries from 2026-08-26

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