2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide

C15H24N2O2S — CID 43749872

IUPAC2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide
SMILESCCC1CCC(Nc2ccccc2S(=O)(=O)NC)CC1
InChIInChI=1S/C15H24N2O2S/c1-3-12-8-10-13(11-9-12)17-14-6-4-5-7-15(14)20(18,19)16-2/h4-7,12-13,16-17H,3,8-11H2,1-2H3
InChIKeyGJSSKOVNDQCPDE-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.98
Rot. Bonds5

About 2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide

2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide (PubChem CID 43749872) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide
PubChem CID43749872
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide
SMILESCCC1CCC(Nc2ccccc2S(=O)(=O)NC)CC1
InChIInChI=1S/C15H24N2O2S/c1-3-12-8-10-13(11-9-12)17-14-6-4-5-7-15(14)20(18,19)16-2/h4-7,12-13,16-17H,3,8-11H2,1-2H3
InChIKeyGJSSKOVNDQCPDE-UHFFFAOYSA-N
XLogP2.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-N-methylbenzenesulfonamide
CID 43454291
2-[(4-ethylcyclohexyl)methylamino]-N-methylbenzenesulfonamide
CID 60972017
N-(3-ethylcyclopentyl)-2-ethylsulfonylaniline
CID 64500030
2-[(4-aminocyclohexyl)amino]-N-ethylbenzenesulfonamide
CID 62313487
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646
N-[(4-ethylcyclohexyl)methyl]-2-(methylamino)benzenesulfonamide
CID 62152226
N-ethyl-2-[(4-hydroxycyclohexyl)amino]benzenesulfonamide
CID 43454387
2-[(3,5-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 64753384
2-[(3-ethyl-2-methylcyclopentyl)amino]-N-methylbenzenesulfonamide
CID 64921417
N-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide
CID 43454668
2-[(3,3-dimethylcyclopentyl)amino]-N-methylbenzenesulfonamide
CID 80705108
N-cyclopropyl-2-[2-(methylsulfamoyl)anilino]acetamide
CID 43568446

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide (CID 43749872) is 2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide is CCC1CCC(Nc2ccccc2S(=O)(=O)NC)CC1.
What is the InChIKey of 2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is GJSSKOVNDQCPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-12-8-10-13(11-9-12)17-14-6-4-5-7-15(14)20(18,19)16-2/h4-7,12-13,16-17H,3,8-11H2,1-2H3.
What are the key properties of 2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide?
2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 43749872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).