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SP0

Summary
Name:3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE
Formula:C19 H13 F2 N3 O2 S2
Formal charge:0
Formula weight:417.452 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-fluoro-N-[1-(4-fluorophenyl)-3-thiophen-2-yl-1H-pyrazol-5-yl]benzenesulfonamide
OpenEye OEToolkits1.5.03-fluoro-N-[2-(4-fluorophenyl)-5-thiophen-2-yl-pyrazol-3-yl]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1cccc(c1)S(=O)(=O)Nc3n(nc(c2sccc2)c3)c4ccc(F)cc4
SMILES_CANONICALCACTVS3.341Fc1ccc(cc1)n2nc(cc2N[S](=O)(=O)c3cccc(F)c3)c4sccc4
SMILESCACTVS3.341Fc1ccc(cc1)n2nc(cc2N[S](=O)(=O)c3cccc(F)c3)c4sccc4
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(cc(c1)S(=O)(=O)Nc2cc(nn2c3ccc(cc3)F)c4cccs4)F
SMILESOpenEye OEToolkits1.5.0c1cc(cc(c1)S(=O)(=O)Nc2cc(nn2c3ccc(cc3)F)c4cccs4)F
InChIInChI1.03InChI=1S/C19H13F2N3O2S2/c20-13-6-8-15(9-7-13)24-19(12-17(22-24)18-5-2-10-27-18)23-28(25,26)16-4-1-3-14(21)11-16/h1-12,23H
InChIKeyInChI1.03GULUFDCOGAXLEP-UHFFFAOYSA-N

222415

数据于2024-07-10公开中

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