N-(2,2-dimethylcyclohexyl)-4-ethenylbenzenesulfonamide

C16H23NO2S — CID 59891712

IUPACN-(2,2-dimethylcyclohexyl)-4-ethenylbenzenesulfonamide
SMILESC=Cc1ccc(S(=O)(=O)NC2CCCCC2(C)C)cc1
InChIInChI=1S/C16H23NO2S/c1-4-13-8-10-14(11-9-13)20(18,19)17-15-7-5-6-12-16(15,2)3/h4,8-11,15,17H,1,5-7,12H2,2-3H3
InChIKeyHKNBZMDORWJDRG-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.58
Rot. Bonds4

About N-(2,2-dimethylcyclohexyl)-4-ethenylbenzenesulfonamide

N-(2,2-dimethylcyclohexyl)-4-ethenylbenzenesulfonamide (PubChem CID 59891712) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-4-ethenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-4-ethenylbenzenesulfonamide
PubChem CID59891712
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-(2,2-dimethylcyclohexyl)-4-ethenylbenzenesulfonamide
SMILESC=Cc1ccc(S(=O)(=O)NC2CCCCC2(C)C)cc1
InChIInChI=1S/C16H23NO2S/c1-4-13-8-10-14(11-9-13)20(18,19)17-15-7-5-6-12-16(15,2)3/h4,8-11,15,17H,1,5-7,12H2,2-3H3
InChIKeyHKNBZMDORWJDRG-UHFFFAOYSA-N
XLogP3.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,2-dimethylcyclohexyl)sulfamoyl]benzenecarbothioamide
CID 79871097
N-(2,2-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide
CID 79873051
3-amino-N-(2,2-dimethylcyclohexyl)-4-methoxybenzenesulfonamide
CID 79865271
5-[(2,2-dimethylcyclohexyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614590
N-cyclopropyl-4-[(2,2-dimethylcyclopentyl)amino]benzenesulfonamide
CID 79870274
5,6-dichloro-N-(2,2-dimethylcyclohexyl)pyridine-3-sulfonamide
CID 79871007
4-methyl-N-[(3R,4R)-1-oxaspiro[2.5]octan-4-yl]benzenesulfonamide
CID 11845877
5-(aminomethyl)-N-(2,2-dimethylcyclohexyl)thiophene-3-sulfonamide
CID 106071365
(2,2-dimethylcyclohexyl)sulfamic acid
CID 175440747
N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 79878268
2-bromo-5-[(2,2-dimethylcyclopentyl)sulfamoyl]benzoic acid
CID 79870885
N-(2,2-dimethylcyclohexyl)-1H-imidazole-5-sulfonamide
CID 79872664

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-4-ethenylbenzenesulfonamide?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-4-ethenylbenzenesulfonamide (CID 59891712) is N-(2,2-dimethylcyclohexyl)-4-ethenylbenzenesulfonamide.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-4-ethenylbenzenesulfonamide?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-4-ethenylbenzenesulfonamide is C=Cc1ccc(S(=O)(=O)NC2CCCCC2(C)C)cc1.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-4-ethenylbenzenesulfonamide?
The InChIKey is HKNBZMDORWJDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-4-13-8-10-14(11-9-13)20(18,19)17-15-7-5-6-12-16(15,2)3/h4,8-11,15,17H,1,5-7,12H2,2-3H3.
What are the key properties of N-(2,2-dimethylcyclohexyl)-4-ethenylbenzenesulfonamide?
N-(2,2-dimethylcyclohexyl)-4-ethenylbenzenesulfonamide has a molecular weight of 293.43 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-4-ethenylbenzenesulfonamide is sourced from PubChem (CID 59891712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).