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- ChemComp-EVE: 1H-benzimidazole-2-sulfonamide -

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Basic information

EntryDatabase: PDB chemical components / ID: EVE
NameName: 1H-benzimidazole-2-sulfonamide

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Chemical information

Composition
Formula: C7H7N3O2S / Number of atoms: 20 / Formula weight: 197.214 / Formal charge: 0
Others

3s72

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: EVE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3S72
History
Create componentJun 3, 2011
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / 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

ACDLabs 12.01O=S(=O)(c2nc1ccccc1n2)N
CACTVS 3.370N[S](=O)(=O)c1[nH]c2ccccc2n1
OpenEye OEToolkits 1.7.2c1ccc2c(c1)[nH]c(n2)S(=O)(=O)N

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SMILES CANONICAL

CACTVS 3.370N[S](=O)(=O)c1[nH]c2ccccc2n1
OpenEye OEToolkits 1.7.2c1ccc2c(c1)[nH]c(n2)S(=O)(=O)N

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InChI

InChI 1.03InChI=1S/C7H7N3O2S/c8-13(11,12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H2,8,11,12)

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InChIKey

InChI 1.03XRGHQBXKSHAQRB-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011H-benzimidazole-2-sulfonamide
OpenEye OEToolkits 1.7.21H-benzimidazole-2-sulfonamide

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PDB entries

Showing all 5 items

PDB-3s72:
The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase

PDB-5rtc:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000006490906

PDB-7hqu:
PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z969591530

PDB-7hr5:
PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z969591530

PDB-7i0h:
PanDDA analysis group deposition -- Crystal structure of Enterococcus faecium VatD in complex with ZINC000006490906

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