Chemical Components in the PDB

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STC : Summary

Code

STC

One-letter code

X

Molecule name

3-[(4-CHLOROANILINO)SULFONYL]THIOPHENE-2-CARBOXYLIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 3-[(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylic acid
OpenEye OEToolkits 1.5.0 3-[(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylic acid

Formula

C11 H8 Cl N O4 S2

Formal charge

0

Molecular weight

317.769 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)c1sccc1S(=O)(=O)Nc2ccc(Cl)cc2
SMILES CACTVS 3.341 OC(=O)c1sccc1[S](=O)(=O)Nc2ccc(Cl)cc2
SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1NS(=O)(=O)c2ccsc2C(=O)O)Cl
Canonical SMILES CACTVS 3.341 OC(=O)c1sccc1[S](=O)(=O)Nc2ccc(Cl)cc2
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1NS(=O)(=O)c2ccsc2C(=O)O)Cl

IUPAC InChI

InChI=1S/C11H8ClNO4S2/c12-7-1-3-8(4-2-7)13-19(16,17)9-5-6-18-10(9)11(14)15/h1-6,13H,(H,14,15)

IUPAC InChI key

YRWKEEDITQJPCZ-UHFFFAOYSA-N
STC

wwPDB Information

Atom count

27 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-03-04

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned