Chemical Components in the PDB

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Y4L : Summary

Code

Y4L

One-letter code

X

Molecule name

((4-Chlorophenyl)sulfamoyl))dimethylamine

Systematic names

ProgramVersionName
ACDLabs 12.01 N'-(4-chlorophenyl)-N,N-dimethylsulfuric diamide
OpenEye OEToolkits 1.7.6 1-chloranyl-4-(dimethylsulfamoylamino)benzene

Formula

C8 H11 Cl N2 O2 S

Formal charge

0

Molecular weight

234.703 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Clc1ccc(NS(=O)(=O)N(C)C)cc1
SMILES CACTVS 3.385 CN(C)[S](=O)(=O)Nc1ccc(Cl)cc1
SMILES OpenEye OEToolkits 1.7.6 CN(C)S(=O)(=O)Nc1ccc(cc1)Cl
Canonical SMILES CACTVS 3.385 CN(C)[S](=O)(=O)Nc1ccc(Cl)cc1
Canonical SMILES OpenEye OEToolkits 1.7.6 CN(C)S(=O)(=O)Nc1ccc(cc1)Cl

IUPAC InChI

InChI=1S/C8H11ClN2O2S/c1-11(2)14(12,13)10-8-5-3-7(9)4-6-8/h3-6,10H,1-2H3

IUPAC InChI key

KDRCAWRLJXSNGE-UHFFFAOYSA-N
Y4L

wwPDB Information

Atom count

25 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-02-06

Last modified at

2015-09-12

Status

Released

Obsoleted

Not Assigned