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U98

Summary
Name:2-(3-(trifluoromethyl)anilino)pyridine-3-sulfonamide
Formula:C12 H10 F3 N3 O2 S
Formal charge:0
Formula weight:317.287 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-sulfonamide
OpenEye OEToolkits1.7.62-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c1cc(ccc1)Nc2ncccc2S(=O)(=O)N
InChIInChI1.03InChI=1S/C12H10F3N3O2S/c13-12(14,15)8-3-1-4-9(7-8)18-11-10(21(16,19)20)5-2-6-17-11/h1-7H,(H,17,18)(H2,16,19,20)
InChIKeyInChI1.03WOYXTNYWFYWXFO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370N[S](=O)(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F
SMILESCACTVS3.370N[S](=O)(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(cc(c1)Nc2c(cccn2)S(=O)(=O)N)C(F)(F)F
SMILESOpenEye OEToolkits1.7.6c1cc(cc(c1)Nc2c(cccn2)S(=O)(=O)N)C(F)(F)F

221051

PDB entries from 2024-06-12

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