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

C16H17N3O3S — CID 7454663

IUPAC1,3-dimethyl-N-(4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C16H17N3O3S/c1-11-4-6-12(7-5-11)17-23(21,22)13-8-9-14-15(10-13)19(3)16(20)18(14)2/h4-10,17H,1-3H3
InChIKeySOHOBTVAXNKPSH-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.99
Rot. Bonds3

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

1,3-dimethyl-N-(4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide (PubChem CID 7454663) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 1,3-dimethyl-N-(4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide
PubChem CID7454663
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name1,3-dimethyl-N-(4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C16H17N3O3S/c1-11-4-6-12(7-5-11)17-23(21,22)13-8-9-14-15(10-13)19(3)16(20)18(14)2/h4-10,17H,1-3H3
InChIKeySOHOBTVAXNKPSH-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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Related Compounds

N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide
CID 1253361
N,1,3,6-tetramethyl-2-oxo-N-phenyl-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 5300967
N-(3,4-dimethylphenyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 2990488
2,3-Dihydro-2-oxo-1-propyl-1H-benzimidazole-5-sulfonamide
CID 28819101
Carbonic anhydrase inhibitor 3
CID 38150302
3-(3-Methyl-3-phenethylureido)benzenesulfonamide
CID 157049317
N-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
CID 53092093
N-octyl-5-(phenylsulfamoyl)-2,3-dihydro-1H-indole-1-carboxamide
CID 44298731
N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide
CID 2979626
N-(2,4-dimethylphenyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 3152215
N-ethyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 24670610
1,3-dimethyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 974153

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide (CID 7454663) is 1,3-dimethyl-N-(4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1.
What is the InChIKey of 1,3-dimethyl-N-(4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is SOHOBTVAXNKPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-11-4-6-12(7-5-11)17-23(21,22)13-8-9-14-15(10-13)19(3)16(20)18(14)2/h4-10,17H,1-3H3.
What are the key properties of 1,3-dimethyl-N-(4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide?
1,3-dimethyl-N-(4-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-(4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 7454663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).