6-chloro-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide

C17H18ClN3O3S — CID 53092195

IUPAC6-chloro-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc3c(cc2Cl)n(C)c(=O)n3C)cc1
InChIInChI=1S/C17H18ClN3O3S/c1-11-4-6-12(7-5-11)10-19-25(23,24)16-9-15-14(8-13(16)18)20(2)17(22)21(15)3/h4-9,19H,10H2,1-3H3
InChIKeyIENJRPUXZUNGQV-UHFFFAOYSA-N
MW379.87 g/mol
LogP2.32
Rot. Bonds4

About 6-chloro-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide

6-chloro-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide (PubChem CID 53092195) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is 6-chloro-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide
PubChem CID53092195
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC Name6-chloro-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc3c(cc2Cl)n(C)c(=O)n3C)cc1
InChIInChI=1S/C17H18ClN3O3S/c1-11-4-6-12(7-5-11)10-19-25(23,24)16-9-15-14(8-13(16)18)20(2)17(22)21(15)3/h4-9,19H,10H2,1-3H3
InChIKeyIENJRPUXZUNGQV-UHFFFAOYSA-N
XLogP2.32
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of 6-chloro-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide (CID 53092195) is 6-chloro-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for 6-chloro-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide is Cc1ccc(CNS(=O)(=O)c2cc3c(cc2Cl)n(C)c(=O)n3C)cc1.
What is the InChIKey of 6-chloro-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is IENJRPUXZUNGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c1-11-4-6-12(7-5-11)10-19-25(23,24)16-9-15-14(8-13(16)18)20(2)17(22)21(15)3/h4-9,19H,10H2,1-3H3.
What are the key properties of 6-chloro-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide?
6-chloro-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 379.87 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 53092195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).