4-cyclohexyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide

C21H25N3O3S — CID 2226360

IUPAC4-cyclohexyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
SMILESCn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)ccc21
InChIInChI=1S/C21H25N3O3S/c1-23-19-13-10-17(14-20(19)24(2)21(23)25)22-28(26,27)18-11-8-16(9-12-18)15-6-4-3-5-7-15/h8-15,22H,3-7H2,1-2H3
InChIKeyOWJYXYCKKROXCL-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.73
Rot. Bonds4

About 4-cyclohexyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide

4-cyclohexyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide (PubChem CID 2226360) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 4-cyclohexyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
PubChem CID2226360
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name4-cyclohexyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
SMILESCn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)ccc21
InChIInChI=1S/C21H25N3O3S/c1-23-19-13-10-17(14-20(19)24(2)21(23)25)22-28(26,27)18-11-8-16(9-12-18)15-6-4-3-5-7-15/h8-15,22H,3-7H2,1-2H3
InChIKeyOWJYXYCKKROXCL-UHFFFAOYSA-N
XLogP3.73
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.73
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-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide
CID 2979626
2,4,6-trimethyl-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)benzenesulfonamide
CID 3480396
2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 7997824
1,3-dimethyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 974153
1-Naphthalen-2-ylsulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazol-2-one
CID 11350253
4-Ethyl-N-(1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL)benzene-1-sulfonamide
CID 20962015
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-fluorobenzenesulfonamide
CID 1249871
4-tert-butyl-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)benzenesulfonamide
CID 1251510
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-5,6,7,8-tetrahydro-2-naphthalenesulfonamide
CID 2972356
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 2972934
1,3-Dimethyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-nitrobenzimidazol-2-one
CID 2978474

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-cyclohexyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide (CID 2226360) is 4-cyclohexyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyclohexyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-cyclohexyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide is Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)ccc21.
What is the InChIKey of 4-cyclohexyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is OWJYXYCKKROXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-23-19-13-10-17(14-20(19)24(2)21(23)25)22-28(26,27)18-11-8-16(9-12-18)15-6-4-3-5-7-15/h8-15,22H,3-7H2,1-2H3.
What are the key properties of 4-cyclohexyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
4-cyclohexyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 399.52 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 2226360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).