Chemical Components in the PDB

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LZ4 : Summary

Code

LZ4

One-letter code

X

Molecule name

4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide

Systematic names

ProgramVersionName
ACDLabs 10.04 4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide
OpenEye OEToolkits 1.5.0 4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide

Formula

C10 H9 Cl N4 O2 S

Formal charge

0

Molecular weight

284.722 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Clc2nc(Nc1ccc(cc1)S(=O)(=O)N)cnc2
SMILES CACTVS 3.341 N[S](=O)(=O)c1ccc(Nc2cncc(Cl)n2)cc1
SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1Nc2cncc(n2)Cl)S(=O)(=O)N
Canonical SMILES CACTVS 3.341 N[S](=O)(=O)c1ccc(Nc2cncc(Cl)n2)cc1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1Nc2cncc(n2)Cl)S(=O)(=O)N

IUPAC InChI

InChI=1S/C10H9ClN4O2S/c11-9-5-13-6-10(15-9)14-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H,14,15)(H2,12,16,17)

IUPAC InChI key

RSNSGNZRUMHXAY-UHFFFAOYSA-N
LZ4

wwPDB Information

Atom count

27 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

Is modified

No

Standard parent

Not Assigned

Defined at

2008-05-15

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned