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

C16H17N3O3S — CID 1093425

IUPAC1,3-dimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C16H17N3O3S/c1-11-6-4-5-7-13(11)17-23(21,22)12-8-9-14-15(10-12)19(3)16(20)18(14)2/h4-10,17H,1-3H3
InChIKeyMRNNMSBRNAQTGR-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.99
Rot. Bonds3

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

1,3-dimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide (PubChem CID 1093425) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide
PubChem CID1093425
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name1,3-dimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C16H17N3O3S/c1-11-6-4-5-7-13(11)17-23(21,22)12-8-9-14-15(10-12)19(3)16(20)18(14)2/h4-10,17H,1-3H3
InChIKeyMRNNMSBRNAQTGR-UHFFFAOYSA-N
XLogP1.99
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.99
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-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide (CID 1093425) is 1,3-dimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 1,3-dimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is MRNNMSBRNAQTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-11-6-4-5-7-13(11)17-23(21,22)12-8-9-14-15(10-12)19(3)16(20)18(14)2/h4-10,17H,1-3H3.
What are the key properties of 1,3-dimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide?
1,3-dimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 1093425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).