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- ChemComp-W0Y: N-methyl-4-sulfamoylbenzamide -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: W0Y
NameName: N-methyl-4-sulfamoylbenzamide

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Chemical information

Composition
Formula: C8H10N2O3S / Number of atoms: 24 / Formula weight: 214.242 / Formal charge: 0
Others

5rqw
PDB Unreleased entry

Type: non-polymer / PDB classification: HETAIN / Three letter code: W0Y / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RQW
History
Create componentSep 24, 2020
Initial releaseJan 13, 2021
External linksUniChem / ChemSpider / BindingDB / ChEMBL / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

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

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SMILES CANONICAL

CACTVS 3.385CNC(=O)c1ccc(cc1)[S](N)(=O)=O
OpenEye OEToolkits 2.0.7CNC(=O)c1ccc(cc1)S(=O)(=O)N

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InChI

InChI 1.03InChI=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)

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InChIKey

InChI 1.03CTDFBRMMEMHBEO-UHFFFAOYSA-N

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SYSTEMATIC NAME

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

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PDB entries

Showing all 3 items

PDB-5s39:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z165170770

PDB-5s5n:
Tubulin-Z165170770-complex

PDB-7g95:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z165170770

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