Chemical Components in the PDB

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G8F : Summary

Code

G8F

One-letter code

X

Molecule name

3-methoxybenzenesulfonamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 3-methoxybenzenesulfonamide

Formula

C7 H9 N O3 S

Formal charge

0

Molecular weight

187.216 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1cccc(c1)[S](N)(=O)=O
SMILES OpenEye OEToolkits 2.0.7 COc1cccc(c1)S(=O)(=O)N
Canonical SMILES CACTVS 3.385 COc1cccc(c1)[S](N)(=O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1cccc(c1)S(=O)(=O)N

IUPAC InChI

InChI=1S/C7H9NO3S/c1-11-6-3-2-4-7(5-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)

IUPAC InChI key

VBKIEQKVSHDVGH-UHFFFAOYSA-N
G8F

wwPDB Information

Atom count

21 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-08-05

Last modified at

2020-08-14

Status

Released

Obsoleted

Not Assigned