Chemical Components in the PDB

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D9Z : Summary

Code

D9Z

One-letter code

X

Molecule name

5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide

Systematic names

ProgramVersionName
ACDLabs 10.04 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide
OpenEye OEToolkits 1.5.0 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide

Formula

C8 H6 Cl N3 O2 S2

Formal charge

0

Molecular weight

275.735 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=S(=O)(c1nnc(s1)c2c(Cl)cccc2)N
SMILES CACTVS 3.341 N[S](=O)(=O)c1sc(nn1)c2ccccc2Cl
SMILES OpenEye OEToolkits 1.5.0 c1ccc(c(c1)c2nnc(s2)S(=O)(=O)N)Cl
Canonical SMILES CACTVS 3.341 N[S](=O)(=O)c1sc(nn1)c2ccccc2Cl
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(c(c1)c2nnc(s2)S(=O)(=O)N)Cl

IUPAC InChI

InChI=1S/C8H6ClN3O2S2/c9-6-4-2-1-3-5(6)7-11-12-8(15-7)16(10,13)14/h1-4H,(H2,10,13,14)

IUPAC InChI key

PZVGOWIIHCUHAO-UHFFFAOYSA-N
D9Z

wwPDB Information

Atom count

22 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-06-03

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned