N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

C17H19N3O3S — CID 7454633

IUPACN-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c(C)c1
InChIInChI=1S/C17H19N3O3S/c1-11-5-7-14(12(2)9-11)18-24(22,23)13-6-8-15-16(10-13)20(4)17(21)19(15)3/h5-10,18H,1-4H3
InChIKeyNQISPVYNZZGYMN-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.29
Rot. Bonds3

About N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 7454633) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID7454633
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c(C)c1
InChIInChI=1S/C17H19N3O3S/c1-11-5-7-14(12(2)9-11)18-24(22,23)13-6-8-15-16(10-13)20(4)17(21)19(15)3/h5-10,18H,1-4H3
InChIKeyNQISPVYNZZGYMN-UHFFFAOYSA-N
XLogP2.29
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide
CID 1253361
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
N-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
CID 53092093
N-octyl-5-(phenylsulfamoyl)-2,3-dihydro-1H-indole-1-carboxamide
CID 44298731
N-(2,4-dimethylphenyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 3152215
1,3-dimethyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 974153
5-(3,4-dihydro-1(2H)-quinolinylsulfonyl)-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
CID 1247966
4-Ethyl-N-(1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL)benzene-1-sulfonamide
CID 20962015
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886452
N-(2-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372092
N-(4-ethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372094

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (CID 7454633) is N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is NQISPVYNZZGYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11-5-7-14(12(2)9-11)18-24(22,23)13-6-8-15-16(10-13)20(4)17(21)19(15)3/h5-10,18H,1-4H3.
What are the key properties of N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 345.42 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 7454633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).