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- ChemComp-BC5: 4'-aminobiphenyl-4-sulfonamide -

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Basic information

EntryDatabase: PDB chemical components / ID: BC5
NameName: 4'-aminobiphenyl-4-sulfonamide

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Chemical information

Composition
Formula: C12H12N2O2S / Number of atoms: 29 / Formula weight: 248.301 / Formal charge: 0
Others

5e28

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BC5 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5E28
History
Create componentOct 1, 2015
Initial releaseJan 20, 2016
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / 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 12.01S(=O)(N)(=O)c1ccc(cc1)c2ccc(cc2)N
CACTVS 3.385Nc1ccc(cc1)c2ccc(cc2)[S](N)(=O)=O
OpenEye OEToolkits 1.9.2c1cc(ccc1c2ccc(cc2)S(=O)(=O)N)N

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SMILES CANONICAL

CACTVS 3.385Nc1ccc(cc1)c2ccc(cc2)[S](N)(=O)=O
OpenEye OEToolkits 1.9.2c1cc(ccc1c2ccc(cc2)S(=O)(=O)N)N

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InChI

InChI 1.03InChI=1S/C12H12N2O2S/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16/h1-8H,13H2,(H2,14,15,16)

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InChIKey

InChI 1.03OFWFFDCOBHXZME-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.014'-aminobiphenyl-4-sulfonamide
OpenEye OEToolkits 1.9.24-(4-aminophenyl)benzenesulfonamide

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PDB entries

Showing all 1 items

PDB-5e28:
Crystal structure of human carbonic anhydrase II in complex with the 4-(4-aminophenyl)benzenesulfonamide inhibitor

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