1,3-dimethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide

C15H15N3O3S — CID 1242526

IUPAC1,3-dimethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C15H15N3O3S/c1-17-13-9-8-12(10-14(13)18(2)15(17)19)22(20,21)16-11-6-4-3-5-7-11/h3-10,16H,1-2H3
InChIKeyORKKPUYEJLTYJT-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.68
Rot. Bonds3

About 1,3-dimethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide

1,3-dimethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide (PubChem CID 1242526) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 1,3-dimethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide
PubChem CID1242526
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name1,3-dimethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C15H15N3O3S/c1-17-13-9-8-12(10-14(13)18(2)15(17)19)22(20,21)16-11-6-4-3-5-7-11/h3-10,16H,1-2H3
InChIKeyORKKPUYEJLTYJT-UHFFFAOYSA-N
XLogP1.68
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Mls003106479
CID 3370705
N-(3-methoxypropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 16193893
4-[3-(2,4-Difluorophenyl)-2-oxoimidazolidin-1-yl]benzenesulfonamide
CID 124174639
N,1,3,6-tetramethyl-2-oxo-N-phenyl-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 5300967
N-(3,4-dimethylphenyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 2990488
2,3-Dihydro-2-oxo-1-propyl-1H-benzimidazole-5-sulfonamide
CID 28819101
N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide
CID 2979626
N-(2,4-dimethylphenyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 3152215
(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazole-5-sulfonylamino)-acetic acid
CID 3158007
1,3-dimethyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 974153
1,1-Dimethyl-3-(4-sulfamoylphenyl)urea
CID 768103
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 1094882

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide (CID 1242526) is 1,3-dimethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccccc3)ccc21.
What is the InChIKey of 1,3-dimethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide?
The InChIKey is ORKKPUYEJLTYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-17-13-9-8-12(10-14(13)18(2)15(17)19)22(20,21)16-11-6-4-3-5-7-11/h3-10,16H,1-2H3.
What are the key properties of 1,3-dimethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide?
1,3-dimethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide has a molecular weight of 317.37 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide is sourced from PubChem (CID 1242526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).