2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide

C13H11N3O3S — CID 2957792

IUPAC2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3ccccc3)cc2[nH]1
InChIInChI=1S/C13H11N3O3S/c17-13-14-11-7-6-10(8-12(11)15-13)20(18,19)16-9-4-2-1-3-5-9/h1-8,16H,(H2,14,15,17)
InChIKeyHARJCSAMFNUPPH-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.66
Rot. Bonds3

About 2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide

2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 2957792) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID2957792
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3ccccc3)cc2[nH]1
InChIInChI=1S/C13H11N3O3S/c17-13-14-11-7-6-10(8-12(11)15-13)20(18,19)16-9-4-2-1-3-5-9/h1-8,16H,(H2,14,15,17)
InChIKeyHARJCSAMFNUPPH-UHFFFAOYSA-N
XLogP1.66
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of 2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide (CID 2957792) is 2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for 2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for 2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)Nc3ccccc3)cc2[nH]1.
What is the InChIKey of 2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is HARJCSAMFNUPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c17-13-14-11-7-6-10(8-12(11)15-13)20(18,19)16-9-4-2-1-3-5-9/h1-8,16H,(H2,14,15,17).
What are the key properties of 2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide?
2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 289.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 2957792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).