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- ChemComp-6RO: ~{N}-(4-chlorophenyl)methanesulfonamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 6RO
NameName: ~{N}-(4-chlorophenyl)methanesulfonamide

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Chemical information

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

5kco

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6RO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5KCO
History
Create componentJun 7, 2016
Initial releaseJul 27, 2016
External linksUniChem / ChemSpider / ChEBI / CompTox / Nikkaji / 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

CACTVS 3.385C[S](=O)(=O)Nc1ccc(Cl)cc1
OpenEye OEToolkits 2.0.5CS(=O)(=O)Nc1ccc(cc1)Cl

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SMILES CANONICAL

CACTVS 3.385C[S](=O)(=O)Nc1ccc(Cl)cc1
OpenEye OEToolkits 2.0.5CS(=O)(=O)Nc1ccc(cc1)Cl

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InChI

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

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InChIKey

InChI 1.03TZBQEYJPVLKASB-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.5~{N}-(4-chlorophenyl)methanesulfonamide

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PDB entries

Showing all 3 items

PDB-5kco:
SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy

PDB-5qes:
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOMB000141a

PDB-7hb5:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13078

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