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- ChemComp-LL0: 2-(difluoromethoxy)benzene-1-sulfonamide -

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Basic information

EntryDatabase: PDB chemical components / ID: LL0
NameName: 2-(difluoromethoxy)benzene-1-sulfonamide

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Chemical information

Composition
Formula: C7H7F2NO3S / Number of atoms: 21 / Formula weight: 223.197 / Formal charge: 0
Others

5sli

Type: non-polymer / PDB classification: HETAIN / Three letter code: LL0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5SLI
History
Create componentMar 4, 2022
Initial releaseMar 16, 2022
External linksUniChem / ChemSpider / 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 12.01O=S(N)(=O)c1ccccc1OC(F)F
CACTVS 3.385N[S](=O)(=O)c1ccccc1OC(F)F
OpenEye OEToolkits 2.0.7c1ccc(c(c1)OC(F)F)S(=O)(=O)N

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SMILES CANONICAL

CACTVS 3.385N[S](=O)(=O)c1ccccc1OC(F)F
OpenEye OEToolkits 2.0.7c1ccc(c(c1)OC(F)F)S(=O)(=O)N

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InChI

InChI 1.03InChI=1S/C7H7F2NO3S/c8-7(9)13-5-3-1-2-4-6(5)14(10,11)12/h1-4,7H,(H2,10,11,12)

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InChIKey

InChI 1.03XDODAVQVIOWLPT-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-(difluoromethoxy)benzene-1-sulfonamide
OpenEye OEToolkits 2.0.72-[bis(fluoranyl)methoxy]benzenesulfonamide

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PDB entries

Showing all 3 items

PDB-5sli:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1003146540

PDB-7g9r:
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z385450668

PDB-7gp0:
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z385450668

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