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- ChemComp-KFH: 2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide -

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Basic information

EntryDatabase: PDB chemical components / ID: KFH
NameName: 2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide

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Chemical information

Composition
Formula: C6H3F4NO2S / Number of atoms: 17 / Formula weight: 229.152 / Formal charge: 0
Others

6rri

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: KFH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6RRI
History
Create componentMay 20, 2019
Initial releaseApr 15, 2020
External linksUniChem / ChemSpider / BindingDB / ChEMBL / Nikkaji / PubChem / SureChEMBL / 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 3.385N[S](=O)(=O)c1c(F)c(F)cc(F)c1F
OpenEye OEToolkits 2.0.7c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F

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SMILES CANONICAL

CACTVS 3.385N[S](=O)(=O)c1c(F)c(F)cc(F)c1F
OpenEye OEToolkits 2.0.7c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F

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InChI

InChI 1.03InChI=1S/C6H3F4NO2S/c7-2-1-3(8)5(10)6(4(2)9)14(11,12)13/h1H,(H2,11,12,13)

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InChIKey

InChI 1.03MYYBXTFMTDFNCM-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6rri:
Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide

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