Chemical Components in the PDB

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7GC : Summary

Code

7GC

One-letter code

X

Molecule name

4-methyl-N-(thiazol-2-ylcarbamoyl)benzenesulfonamide

Synonyms

4-methyl-N-[(1,3-thiazol-2-yl)carbamoyl]benzene-1-sulfonamide

Systematic names

ProgramVersionName
ACDLabs 12.01 4-methyl-N-[(1,3-thiazol-2-yl)carbamoyl]benzene-1-sulfonamide
OpenEye OEToolkits 2.0.6 1-(4-methylphenyl)sulfonyl-3-(1,3-thiazol-2-yl)urea

Formula

C11 H11 N3 O3 S2

Formal charge

0

Molecular weight

297.353 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Cc1ccc(cc1)S(NC(Nc2sccn2)=O)(=O)=O
SMILES CACTVS 3.385 Cc1ccc(cc1)[S](=O)(=O)NC(=O)Nc2sccn2
SMILES OpenEye OEToolkits 2.0.6 Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2nccs2
Canonical SMILES CACTVS 3.385 Cc1ccc(cc1)[S](=O)(=O)NC(=O)Nc2sccn2
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2nccs2

IUPAC InChI

InChI=1S/C11H11N3O3S2/c1-8-2-4-9(5-3-8)19(16,17)14-10(15)13-11-12-6-7-18-11/h2-7H,1H3,(H2,12,13,14,15)

IUPAC InChI key

ZXPLKYLPCUVOFS-UHFFFAOYSA-N
7GC

wwPDB Information

Atom count

30 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-10-19

Last modified at

2021-03-13

Status

Released

Obsoleted

Not Assigned