Chemical Components in the PDB

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KBZ : Summary

Code

KBZ

One-letter code

X

Molecule name

4-cyanobenzenesulfonamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-cyanobenzenesulfonamide

Formula

C7 H6 N2 O2 S

Formal charge

0

Molecular weight

182.2 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc(cc1)C#N
SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1C#N)S(=O)(=O)N
Canonical SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc(cc1)C#N
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1C#N)S(=O)(=O)N

IUPAC InChI

InChI=1S/C7H6N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,(H2,9,10,11)

IUPAC InChI key

UZECCNDOASGYNH-UHFFFAOYSA-N
KBZ

wwPDB Information

Atom count

18 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-05-10

Last modified at

2020-04-10

Status

Released

Obsoleted

Not Assigned