Chemical Components in the PDB

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FB2 : Summary

Code

FB2

One-letter code

X

Molecule name

benzenesulfonamide

Systematic names

ProgramVersionName
ACDLabs 10.04 benzenesulfonamide
OpenEye OEToolkits 1.6.1 benzenesulfonamide

Formula

C6 H7 N O2 S

Formal charge

0

Molecular weight

157.19 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=S(=O)(N)c1ccccc1
SMILES CACTVS 3.352 N[S](=O)(=O)c1ccccc1
SMILES OpenEye OEToolkits 1.6.1 c1ccc(cc1)S(=O)(=O)N
Canonical SMILES CACTVS 3.352 N[S](=O)(=O)c1ccccc1
Canonical SMILES OpenEye OEToolkits 1.6.1 c1ccc(cc1)S(=O)(=O)N

IUPAC InChI

InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)

IUPAC InChI key

KHBQMWCZKVMBLN-UHFFFAOYSA-N
FB2

wwPDB Information

Atom count

17 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

Is modified

No

Standard parent

Not Assigned

Defined at

2009-03-31

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned