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A1CT8

Summary
Name:5-fluoro-2-(1H-pyrrolo[2,3-b]pyridine-3-sulfonamido)benzoic acid
Formula:C14 H10 F N3 O4 S
Formal charge:0
Formula weight:335.31 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.525-fluoro-2-(1H-pyrrolo[2,3-b]pyridine-3-sulfonamido)benzoic acid
OpenEye OEToolkits3.1.0.05-fluoranyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-3-ylsulfonylamino)benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(O)c1cc(F)ccc1NS(=O)(=O)c1c[NH]c2ncccc21
InChIInChI1.06InChI=1S/C14H10FN3O4S/c15-8-3-4-11(10(6-8)14(19)20)18-23(21,22)12-7-17-13-9(12)2-1-5-16-13/h1-7,18H,(H,16,17)(H,19,20)
InChIKeyInChI1.06TWDFPHQULOCHHS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cc(F)ccc1N[S](=O)(=O)c2c[nH]c3ncccc23
SMILESCACTVS3.385OC(=O)c1cc(F)ccc1N[S](=O)(=O)c2c[nH]c3ncccc23
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc2c(c[nH]c2nc1)S(=O)(=O)Nc3ccc(cc3C(=O)O)F
SMILESOpenEye OEToolkits3.1.0.0c1cc2c(c[nH]c2nc1)S(=O)(=O)Nc3ccc(cc3C(=O)O)F

258009

PDB entries from 2026-08-12

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