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- ChemComp-X0S: 2-chloro-N-methylbenzene-1-sulfonamide -

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Basic information

EntryDatabase: PDB chemical components / ID: X0S
NameName: 2-chloro-N-methylbenzene-1-sulfonamide

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Chemical information

Composition
Formula: C7H8ClNO2S / Number of atoms: 20 / Formula weight: 205.662 / Formal charge: 0
Others

5s5m

Type: non-polymer / PDB classification: HETAIN / Three letter code: X0S / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5S5M
History
Create componentNov 19, 2020
Initial releaseJun 30, 2021
External linksUniChem / ChemSpider / CompTox / PubChem / 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 12.01c1c(S(NC)(=O)=O)c(Cl)ccc1
CACTVS 3.385CN[S](=O)(=O)c1ccccc1Cl
OpenEye OEToolkits 2.0.7CNS(=O)(=O)c1ccccc1Cl

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SMILES CANONICAL

CACTVS 3.385CN[S](=O)(=O)c1ccccc1Cl
OpenEye OEToolkits 2.0.7CNS(=O)(=O)c1ccccc1Cl

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InChI

InChI 1.03InChI=1S/C7H8ClNO2S/c1-9-12(10,11)7-5-3-2-4-6(7)8/h2-5,9H,1H3

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InChIKey

InChI 1.03OSFAUZAAZLLTSW-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-chloro-N-methylbenzene-1-sulfonamide
OpenEye OEToolkits 2.0.72-chloranyl-~{N}-methyl-benzenesulfonamide

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PDB entries

Showing all 4 items

PDB-5s5m:
Tubulin-Z45527714-complex

PDB-7h37:
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z45527714 (A71EV2A-x0332)

PDB-7hge:
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z45527714

PDB-7i28:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z45527714 (DNV2_NS5A-x0153)

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