PDB Chemical Component FBU

Ideal Model

Chemical Description

Name 3,5-DIFLUOROBENZENESULFONAMIDE
Formula C6 H5 F2 N O2 S
Formal charge 0
Molecular weight 193.171 g/mol
Component type NON-POLYMER

Chemical features

Atom count 17
Chiral atom count 0
Bond count 17
Aromatic bond count 6

Chemical Identifiers

Systematic name (ACDLabs) 3,5-difluorobenzenesulfonamide
Systematic name (OpenEye OEToolkits) 3,5-difluorobenzenesulfonamide

Chemical Descriptors

Stereo SMILES (CACTVS) N[S](=O)(=O)c1cc(F)cc(F)c1
SMILES (CACTVS) N[S](=O)(=O)c1cc(F)cc(F)c1
Stereo SMILES (OpenEye) c1c(cc(cc1F)S(=O)(=O)N)F
InChI descriptor InChI=1/C6H5F2NO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H,(H2,9,10,11)/f/h9H2
InChIKey descriptor MKQPOVUFDWKPNO-JSGPKCTECC

Status Information

Last modified 2008-10-14
Created 2001-04-16
Release status REL
Model PDB code 1IF6
Processing site RCSB