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SXG

Summary
Name:2,3,4,5,6-pentafluoro-N-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)benzenesulfonamide
Formula:C12 H3 F9 N2 O4 S2
Formal charge:0
Formula weight:474.279 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72,3,5,6-tetrakis(fluoranyl)-4-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfonylamino]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C12H3F9N2O4S2/c13-1-2(14)6(18)12(7(19)3(1)15)29(26,27)23-10-4(16)8(20)11(28(22,24)25)9(21)5(10)17/h23H,(H2,22,24,25)
InChIKeyInChI1.03DRVVUIBMQSZWEI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)c1c(F)c(F)c(N[S](=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
SMILESCACTVS3.385N[S](=O)(=O)c1c(F)c(F)c(N[S](=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
SMILES_CANONICALOpenEye OEToolkits2.0.7c1(c(c(c(c(c1F)F)S(=O)(=O)N)F)F)NS(=O)(=O)c2c(c(c(c(c2F)F)F)F)F
SMILESOpenEye OEToolkits2.0.7c1(c(c(c(c(c1F)F)S(=O)(=O)N)F)F)NS(=O)(=O)c2c(c(c(c(c2F)F)F)F)F

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PDB entries from 2024-07-10

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