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- ChemComp-FBV: 2-fluorobenzenesulfonamide -

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Basic information

EntryDatabase: PDB chemical components / ID: FBV
NameName: 2-fluorobenzenesulfonamide

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Chemical information

Composition
Formula: C6H6FNO2S / Number of atoms: 17 / Formula weight: 175.181 / Formal charge: 0
Others

2weg

Type: non-polymer / Three letter code: FBV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2WEG
History
Create componentMar 31, 2009
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / 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 10.04O=S(=O)(c1ccccc1F)N
CACTVS 3.352N[S](=O)(=O)c1ccccc1F
OpenEye OEToolkits 1.6.1c1ccc(c(c1)F)S(=O)(=O)N

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SMILES CANONICAL

CACTVS 3.352N[S](=O)(=O)c1ccccc1F
OpenEye OEToolkits 1.6.1c1ccc(c(c1)F)S(=O)(=O)N

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InChI

InChI 1.03InChI=1S/C6H6FNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)

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InChIKey

InChI 1.03WFLBWYLZCQOPCA-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-fluorobenzenesulfonamide
OpenEye OEToolkits 1.6.12-fluorobenzenesulfonamide

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PDB entries

Showing all 4 items

PDB-2weg:
Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors

PDB-6rit:
Human Carbonic Anhydrase II in complex with 2-Fluorobenzenesulfonamide

PDB-7hj9:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000155614

PDB-7hra:
PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z45415581

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