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

C17H19N3O3S — CID 22432053

IUPAC1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C17H19N3O3S/c1-12-4-6-13(7-5-12)11-18-24(22,23)14-8-9-15-16(10-14)20(3)17(21)19(15)2/h4-10,18H,11H2,1-3H3
InChIKeyPRUUSJMOKKBEDJ-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.66
Rot. Bonds4

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

1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide (PubChem CID 22432053) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide
PubChem CID22432053
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C17H19N3O3S/c1-12-4-6-13(7-5-12)11-18-24(22,23)14-8-9-15-16(10-14)20(3)17(21)19(15)2/h4-10,18H,11H2,1-3H3
InChIKeyPRUUSJMOKKBEDJ-UHFFFAOYSA-N
XLogP1.66
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide (CID 22432053) is 1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1.
What is the InChIKey of 1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is PRUUSJMOKKBEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-12-4-6-13(7-5-12)11-18-24(22,23)14-8-9-15-16(10-14)20(3)17(21)19(15)2/h4-10,18H,11H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide?
1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 345.42 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 22432053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).