Chemical Components in the PDB

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W0Y : Summary

Code

W0Y

One-letter code

X

Molecule name

N-methyl-4-sulfamoylbenzamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-methyl-4-sulfamoylbenzamide
OpenEye OEToolkits 2.0.7 ~{N}-methyl-4-sulfamoyl-benzamide

Formula

C8 H10 N2 O3 S

Formal charge

0

Molecular weight

214.242 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NS(c1ccc(cc1)C(NC)=O)(=O)=O
SMILES CACTVS 3.385 CNC(=O)c1ccc(cc1)[S](N)(=O)=O
SMILES OpenEye OEToolkits 2.0.7 CNC(=O)c1ccc(cc1)S(=O)(=O)N
Canonical SMILES CACTVS 3.385 CNC(=O)c1ccc(cc1)[S](N)(=O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CNC(=O)c1ccc(cc1)S(=O)(=O)N

IUPAC InChI

InChI=1S/C8H10N2O3S/c1-10-8(11)6-2-4-7(5-3-6)14(9,12)13/h2-5H,1H3,(H,10,11)(H2,9,12,13)

IUPAC InChI key

CTDFBRMMEMHBEO-UHFFFAOYSA-N
W0Y

wwPDB Information

Atom count

24 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-09-24

Last modified at

2021-01-08

Status

Released

Obsoleted

Not Assigned