1,3,6-trimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide

C17H19N3O3S — CID 53092106

IUPAC1,3,6-trimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cc2c(cc1C)n(C)c(=O)n2C
InChIInChI=1S/C17H19N3O3S/c1-11-7-5-6-8-13(11)18-24(22,23)16-10-15-14(9-12(16)2)19(3)17(21)20(15)4/h5-10,18H,1-4H3
InChIKeyOKPODVROFFSCSV-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.29
Rot. Bonds3

About 1,3,6-trimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide

1,3,6-trimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide (PubChem CID 53092106) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1,3,6-trimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1,3,6-trimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide
PubChem CID53092106
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name1,3,6-trimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cc2c(cc1C)n(C)c(=O)n2C
InChIInChI=1S/C17H19N3O3S/c1-11-7-5-6-8-13(11)18-24(22,23)16-10-15-14(9-12(16)2)19(3)17(21)20(15)4/h5-10,18H,1-4H3
InChIKeyOKPODVROFFSCSV-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-(4-methoxyphenyl)-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide
CID 53092083
6-chloro-N-(2,5-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 53092186
4-bromo-N-(6-chloro-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide
CID 50796706
N-(3,4-dimethylphenyl)-1,4,7-trimethyl-2,3-dioxoquinoxaline-6-sulfonamide
CID 20914056
7-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758925
4-bromo-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide
CID 35397514
5-chloro-2-methoxy-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 20962012
1-methyl-N-(2-methylphenyl)-2-oxoquinoline-6-sulfonamide
CID 70985171
N-(6-chloro-1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-dimethylbenzenesulfonamide
CID 50796594
5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 29288655
1,3,5,6-tetramethylbenzimidazol-2-one
CID 23560568
N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 50796604

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of 1,3,6-trimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide (CID 53092106) is 1,3,6-trimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for 1,3,6-trimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for 1,3,6-trimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide is Cc1ccccc1NS(=O)(=O)c1cc2c(cc1C)n(C)c(=O)n2C.
What is the InChIKey of 1,3,6-trimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is OKPODVROFFSCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11-7-5-6-8-13(11)18-24(22,23)16-10-15-14(9-12(16)2)19(3)17(21)20(15)4/h5-10,18H,1-4H3.
What are the key properties of 1,3,6-trimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide?
1,3,6-trimethyl-N-(2-methylphenyl)-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 1,3,6-trimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 53092106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).