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

C14H13N3O3S — CID 2957874

IUPACN-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H13N3O3S/c1-17(10-5-3-2-4-6-10)21(19,20)11-7-8-12-13(9-11)16-14(18)15-12/h2-9H,1H3,(H2,15,16,18)
InChIKeyPHEPZYKTGNUERN-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.68
Rot. Bonds3

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

N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 2957874) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID2957874
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC NameN-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H13N3O3S/c1-17(10-5-3-2-4-6-10)21(19,20)11-7-8-12-13(9-11)16-14(18)15-12/h2-9H,1H3,(H2,15,16,18)
InChIKeyPHEPZYKTGNUERN-UHFFFAOYSA-N
XLogP1.68
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-Phenyl-ureido)-benzenesulfonamide
CID 2812287
4-[(Anilinocarbonyl)amino]benzenesulfonamide
CID 306924
Mls003106479
CID 3370705
N-(3-methoxypropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 16193893
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
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
N-(4-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372090

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide (CID 2957874) is N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide is CN(c1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is PHEPZYKTGNUERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-17(10-5-3-2-4-6-10)21(19,20)11-7-8-12-13(9-11)16-14(18)15-12/h2-9H,1H3,(H2,15,16,18).
What are the key properties of N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide?
N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 303.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 2957874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).