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

C17H18ClN3O3S — CID 53092186

IUPAC6-chloro-N-(2,5-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cc3c(cc2Cl)n(C)c(=O)n3C)c1
InChIInChI=1S/C17H18ClN3O3S/c1-10-5-6-11(2)13(7-10)19-25(23,24)16-9-15-14(8-12(16)18)20(3)17(22)21(15)4/h5-9,19H,1-4H3
InChIKeyGUWKCHUEWRDLEL-UHFFFAOYSA-N
MW379.87 g/mol
LogP2.95
Rot. Bonds3

About 6-chloro-N-(2,5-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

6-chloro-N-(2,5-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 53092186) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is 6-chloro-N-(2,5-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2,5-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID53092186
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC Name6-chloro-N-(2,5-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cc3c(cc2Cl)n(C)c(=O)n3C)c1
InChIInChI=1S/C17H18ClN3O3S/c1-10-5-6-11(2)13(7-10)19-25(23,24)16-9-15-14(8-12(16)18)20(3)17(22)21(15)4/h5-9,19H,1-4H3
InChIKeyGUWKCHUEWRDLEL-UHFFFAOYSA-N
XLogP2.95
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,5-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(2,5-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (CID 53092186) is 6-chloro-N-(2,5-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2,5-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(2,5-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is Cc1ccc(C)c(NS(=O)(=O)c2cc3c(cc2Cl)n(C)c(=O)n3C)c1.
What is the InChIKey of 6-chloro-N-(2,5-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is GUWKCHUEWRDLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c1-10-5-6-11(2)13(7-10)19-25(23,24)16-9-15-14(8-12(16)18)20(3)17(22)21(15)4/h5-9,19H,1-4H3.
What are the key properties of 6-chloro-N-(2,5-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
6-chloro-N-(2,5-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 379.87 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,5-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 53092186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).