2-cyclohexyl-2-(2,5-dichlorophenyl)sulfonylacetonitrile

C14H15Cl2NO2S — CID 82933690

IUPAC2-cyclohexyl-2-(2,5-dichlorophenyl)sulfonylacetonitrile
SMILESN#CC(C1CCCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H15Cl2NO2S/c15-11-6-7-12(16)13(8-11)20(18,19)14(9-17)10-4-2-1-3-5-10/h6-8,10,14H,1-5H2
InChIKeyLYIYALACCZUWJN-UHFFFAOYSA-N
MW332.25 g/mol
LogP4.24
Rot. Bonds3

About 2-cyclohexyl-2-(2,5-dichlorophenyl)sulfonylacetonitrile

2-cyclohexyl-2-(2,5-dichlorophenyl)sulfonylacetonitrile (PubChem CID 82933690) has the molecular formula C14H15Cl2NO2S and a molecular weight of 332.25 g/mol. Its IUPAC name is 2-cyclohexyl-2-(2,5-dichlorophenyl)sulfonylacetonitrile.

Molecular Properties

Compound Name2-cyclohexyl-2-(2,5-dichlorophenyl)sulfonylacetonitrile
PubChem CID82933690
Molecular FormulaC14H15Cl2NO2S
Molecular Weight332.25 g/mol
Exact Mass331.02
IUPAC Name2-cyclohexyl-2-(2,5-dichlorophenyl)sulfonylacetonitrile
SMILESN#CC(C1CCCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H15Cl2NO2S/c15-11-6-7-12(16)13(8-11)20(18,19)14(9-17)10-4-2-1-3-5-10/h6-8,10,14H,1-5H2
InChIKeyLYIYALACCZUWJN-UHFFFAOYSA-N
XLogP4.24
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexyl-2-(2,5-dichlorophenyl)sulfonylacetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(2,5-dichlorophenyl)sulfonylacetonitrile?
The IUPAC name of 2-cyclohexyl-2-(2,5-dichlorophenyl)sulfonylacetonitrile (CID 82933690) is 2-cyclohexyl-2-(2,5-dichlorophenyl)sulfonylacetonitrile.
What is the SMILES notation for 2-cyclohexyl-2-(2,5-dichlorophenyl)sulfonylacetonitrile?
The canonical SMILES for 2-cyclohexyl-2-(2,5-dichlorophenyl)sulfonylacetonitrile is N#CC(C1CCCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-cyclohexyl-2-(2,5-dichlorophenyl)sulfonylacetonitrile?
The InChIKey is LYIYALACCZUWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO2S/c15-11-6-7-12(16)13(8-11)20(18,19)14(9-17)10-4-2-1-3-5-10/h6-8,10,14H,1-5H2.
What are the key properties of 2-cyclohexyl-2-(2,5-dichlorophenyl)sulfonylacetonitrile?
2-cyclohexyl-2-(2,5-dichlorophenyl)sulfonylacetonitrile has a molecular weight of 332.25 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(2,5-dichlorophenyl)sulfonylacetonitrile is sourced from PubChem (CID 82933690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).