1-cyclohexyl-2-(2,6-dichlorophenyl)sulfonylethanamine

C14H19Cl2NO2S — CID 104754082

IUPAC1-cyclohexyl-2-(2,6-dichlorophenyl)sulfonylethanamine
SMILESNC(CS(=O)(=O)c1c(Cl)cccc1Cl)C1CCCCC1
InChIInChI=1S/C14H19Cl2NO2S/c15-11-7-4-8-12(16)14(11)20(18,19)9-13(17)10-5-2-1-3-6-10/h4,7-8,10,13H,1-3,5-6,9,17H2
InChIKeyFYTBILKBAITVTO-UHFFFAOYSA-N
MW336.28 g/mol
LogP3.67
Rot. Bonds4

About 1-cyclohexyl-2-(2,6-dichlorophenyl)sulfonylethanamine

1-cyclohexyl-2-(2,6-dichlorophenyl)sulfonylethanamine (PubChem CID 104754082) has the molecular formula C14H19Cl2NO2S and a molecular weight of 336.28 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2,6-dichlorophenyl)sulfonylethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-(2,6-dichlorophenyl)sulfonylethanamine
PubChem CID104754082
Molecular FormulaC14H19Cl2NO2S
Molecular Weight336.28 g/mol
Exact Mass335.05
IUPAC Name1-cyclohexyl-2-(2,6-dichlorophenyl)sulfonylethanamine
SMILESNC(CS(=O)(=O)c1c(Cl)cccc1Cl)C1CCCCC1
InChIInChI=1S/C14H19Cl2NO2S/c15-11-7-4-8-12(16)14(11)20(18,19)9-13(17)10-5-2-1-3-6-10/h4,7-8,10,13H,1-3,5-6,9,17H2
InChIKeyFYTBILKBAITVTO-UHFFFAOYSA-N
XLogP3.67
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2,6-dichlorophenyl)sulfonylethanamine?
The IUPAC name of 1-cyclohexyl-2-(2,6-dichlorophenyl)sulfonylethanamine (CID 104754082) is 1-cyclohexyl-2-(2,6-dichlorophenyl)sulfonylethanamine.
What is the SMILES notation for 1-cyclohexyl-2-(2,6-dichlorophenyl)sulfonylethanamine?
The canonical SMILES for 1-cyclohexyl-2-(2,6-dichlorophenyl)sulfonylethanamine is NC(CS(=O)(=O)c1c(Cl)cccc1Cl)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2,6-dichlorophenyl)sulfonylethanamine?
The InChIKey is FYTBILKBAITVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2S/c15-11-7-4-8-12(16)14(11)20(18,19)9-13(17)10-5-2-1-3-6-10/h4,7-8,10,13H,1-3,5-6,9,17H2.
What are the key properties of 1-cyclohexyl-2-(2,6-dichlorophenyl)sulfonylethanamine?
1-cyclohexyl-2-(2,6-dichlorophenyl)sulfonylethanamine has a molecular weight of 336.28 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2,6-dichlorophenyl)sulfonylethanamine is sourced from PubChem (CID 104754082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).