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T13

Summary
Name:2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
Formula:C13 H7 F6 N O3 S
Formal charge:0
Formula weight:371.255 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
OpenEye OEToolkits1.5.02,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxy-phenyl)benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1cc(ccc1OC)NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F
SMILES_CANONICALCACTVS3.341COc1ccc(N[S](=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F
SMILESCACTVS3.341COc1ccc(N[S](=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1ccc(cc1F)NS(=O)(=O)c2c(c(c(c(c2F)F)F)F)F
SMILESOpenEye OEToolkits1.5.0COc1ccc(cc1F)NS(=O)(=O)c2c(c(c(c(c2F)F)F)F)F
InChIInChI1.03InChI=1S/C13H7F6NO3S/c1-23-7-3-2-5(4-6(7)14)20-24(21,22)13-11(18)9(16)8(15)10(17)12(13)19/h2-4,20H,1H3
InChIKeyInChI1.03ROZCIVXTLACYNY-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

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