Chemical Components in the PDB

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WWL : Summary

Code

WWL

One-letter code

X

Molecule name

5-(phenylsulfonyl)thiophene-2-sulfonamide

Systematic names

ProgramVersionName
ACDLabs 12.01 5-(phenylsulfonyl)thiophene-2-sulfonamide
OpenEye OEToolkits 1.7.6 5-(phenylsulfonyl)thiophene-2-sulfonamide

Formula

C10 H9 N O4 S3

Formal charge

0

Molecular weight

303.378 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(=O)(c1sc(cc1)S(=O)(=O)N)c2ccccc2
SMILES CACTVS 3.385 N[S](=O)(=O)c1sc(cc1)[S](=O)(=O)c2ccccc2
SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)S(=O)(=O)c2ccc(s2)S(=O)(=O)N
Canonical SMILES CACTVS 3.385 N[S](=O)(=O)c1sc(cc1)[S](=O)(=O)c2ccccc2
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)S(=O)(=O)c2ccc(s2)S(=O)(=O)N

IUPAC InChI

InChI=1S/C10H9NO4S3/c11-18(14,15)10-7-6-9(16-10)17(12,13)8-4-2-1-3-5-8/h1-7H,(H2,11,14,15)

IUPAC InChI key

TZFKMKMXMWYTNS-UHFFFAOYSA-N
WWL

wwPDB Information

Atom count

27 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-07-10

Last modified at

2014-06-27

Status

Released

Obsoleted

Not Assigned