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MB2

Summary
Name:5-({[(4-fluorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide
Formula:C12 H11 F N4 O5 S2
Formal charge:0
Formula weight:374.368 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-({[(4-fluorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide
OpenEye OEToolkits1.7.61-(4-fluorophenyl)sulfonyl-3-(6-sulfamoylpyridin-3-yl)urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c2ncc(NC(=O)NS(=O)(=O)c1ccc(F)cc1)cc2)N
InChIInChI1.03InChI=1S/C12H11FN4O5S2/c13-8-1-4-10(5-2-8)24(21,22)17-12(18)16-9-3-6-11(15-7-9)23(14,19)20/h1-7H,(H2,14,19,20)(H2,16,17,18)
InChIKeyInChI1.03IQSPZQMMEJIGTG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370N[S](=O)(=O)c1ccc(NC(=O)N[S](=O)(=O)c2ccc(F)cc2)cn1
SMILESCACTVS3.370N[S](=O)(=O)c1ccc(NC(=O)N[S](=O)(=O)c2ccc(F)cc2)cn1
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(ccc1F)S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N
SMILESOpenEye OEToolkits1.7.6c1cc(ccc1F)S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N

222036

PDB entries from 2024-07-03

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