Chemical Components in the PDB

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FBU : Summary

Code

FBU

One-letter code

X

Molecule name

3,5-DIFLUOROBENZENESULFONAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 3,5-difluorobenzenesulfonamide
OpenEye OEToolkits 1.5.0 3,5-difluorobenzenesulfonamide

Formula

C6 H5 F2 N O2 S

Formal charge

0

Molecular weight

193.171 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Fc1cc(cc(F)c1)S(=O)(=O)N
SMILES CACTVS 3.341 N[S](=O)(=O)c1cc(F)cc(F)c1
SMILES OpenEye OEToolkits 1.5.0 c1c(cc(cc1F)S(=O)(=O)N)F
Canonical SMILES CACTVS 3.341 N[S](=O)(=O)c1cc(F)cc(F)c1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1c(cc(cc1F)S(=O)(=O)N)F

IUPAC InChI

InChI=1S/C6H5F2NO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H,(H2,9,10,11)

IUPAC InChI key

MKQPOVUFDWKPNO-UHFFFAOYSA-N
FBU

wwPDB Information

Atom count

17 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-04-16

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned