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J6V

Summary
Name:3-[(4-fluoro-3-methylphenyl)carbamamido]-4-hydroxy-5-nitrobenzene-1-sulfonamide
Formula:C14 H13 F N4 O6 S
Formal charge:0
Formula weight:384.34 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs14.523-[(4-fluoro-3-methylphenyl)carbamamido]-4-hydroxy-5-nitrobenzene-1-sulfonamide
OpenEye OEToolkits3.1.0.01-(4-fluoranyl-3-methyl-phenyl)-3-(3-nitro-2-oxidanyl-5-sulfamoyl-phenyl)urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=S(N)(=O)c1cc(c(O)c(NC(=O)Nc2cc(C)c(F)cc2)c1)[N+]([O-])=O
InChIInChI1.06InChI=1S/C14H13FN4O6S/c1-7-4-8(2-3-10(7)15)17-14(21)18-11-5-9(26(16,24)25)6-12(13(11)20)19(22)23/h2-6,20H,1H3,(H2,16,24,25)(H2,17,18,21)
InChIKeyInChI1.06NCXBXYIRLDJNEP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(NC(=O)Nc2cc(cc(c2O)[N+]([O-])=O)[S](N)(=O)=O)ccc1F
SMILESCACTVS3.385Cc1cc(NC(=O)Nc2cc(cc(c2O)[N+]([O-])=O)[S](N)(=O)=O)ccc1F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cc1cc(ccc1F)NC(=O)Nc2cc(cc(c2O)[N+](=O)[O-])S(=O)(=O)N
SMILESOpenEye OEToolkits3.1.0.0Cc1cc(ccc1F)NC(=O)Nc2cc(cc(c2O)[N+](=O)[O-])S(=O)(=O)N

253795

PDB entries from 2026-05-20

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