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

C17H19N3O3S — CID 2990488

IUPACN-(3,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1C
InChIInChI=1S/C17H19N3O3S/c1-11-5-6-13(9-12(11)2)18-24(22,23)14-7-8-15-16(10-14)20(4)17(21)19(15)3/h5-10,18H,1-4H3
InChIKeyOZCHLLBJIJDZSV-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.29
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 2990488) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID2990488
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(3,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1C
InChIInChI=1S/C17H19N3O3S/c1-11-5-6-13(9-12(11)2)18-24(22,23)14-7-8-15-16(10-14)20(4)17(21)19(15)3/h5-10,18H,1-4H3
InChIKeyOZCHLLBJIJDZSV-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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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (CID 2990488) is N-(3,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is OZCHLLBJIJDZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11-5-6-13(9-12(11)2)18-24(22,23)14-7-8-15-16(10-14)20(4)17(21)19(15)3/h5-10,18H,1-4H3.
What are the key properties of N-(3,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
N-(3,4-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-(3,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 2990488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).