Chemical Components in the PDB

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D8W : Summary

Code

D8W

One-letter code

X

Molecule name

5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide

Systematic names

ProgramVersionName
ACDLabs 10.04 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide
OpenEye OEToolkits 1.5.0 5-(phenylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide

Formula

C8 H8 N4 O4 S3

Formal charge

0

Molecular weight

320.369 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=S(=O)(c1nnc(s1)NS(=O)(=O)c2ccccc2)N
SMILES CACTVS 3.341 N[S](=O)(=O)c1sc(N[S](=O)(=O)c2ccccc2)nn1
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N
Canonical SMILES CACTVS 3.341 N[S](=O)(=O)c1sc(N[S](=O)(=O)c2ccccc2)nn1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N

IUPAC InChI

InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)

IUPAC InChI key

PWDGTQXZLNDOKS-UHFFFAOYSA-N
D8W

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

2008-05-27

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned