2-(2-chlorophenyl)sulfinyl-4-ethylcyclohexane-1-carbonitrile

C15H18ClNOS — CID 64690449

IUPAC2-(2-chlorophenyl)sulfinyl-4-ethylcyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(S(=O)c2ccccc2Cl)C1
InChIInChI=1S/C15H18ClNOS/c1-2-11-7-8-12(10-17)15(9-11)19(18)14-6-4-3-5-13(14)16/h3-6,11-12,15H,2,7-9H2,1H3
InChIKeyQOFCCSZLLIFCHQ-UHFFFAOYSA-N
MW295.83 g/mol
LogP4.17
Rot. Bonds3

About 2-(2-chlorophenyl)sulfinyl-4-ethylcyclohexane-1-carbonitrile

2-(2-chlorophenyl)sulfinyl-4-ethylcyclohexane-1-carbonitrile (PubChem CID 64690449) has the molecular formula C15H18ClNOS and a molecular weight of 295.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfinyl-4-ethylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfinyl-4-ethylcyclohexane-1-carbonitrile
PubChem CID64690449
Molecular FormulaC15H18ClNOS
Molecular Weight295.83 g/mol
Exact Mass295.08
IUPAC Name2-(2-chlorophenyl)sulfinyl-4-ethylcyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(S(=O)c2ccccc2Cl)C1
InChIInChI=1S/C15H18ClNOS/c1-2-11-7-8-12(10-17)15(9-11)19(18)14-6-4-3-5-13(14)16/h3-6,11-12,15H,2,7-9H2,1H3
InChIKeyQOFCCSZLLIFCHQ-UHFFFAOYSA-N
XLogP4.17
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-chlorophenyl)sulfinyl-4-ethylcyclohexane-1-carbonitrile 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-(2-chlorophenyl)sulfinyl-4-ethylcyclohexane-1-carbonitrile?
The IUPAC name of 2-(2-chlorophenyl)sulfinyl-4-ethylcyclohexane-1-carbonitrile (CID 64690449) is 2-(2-chlorophenyl)sulfinyl-4-ethylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(2-chlorophenyl)sulfinyl-4-ethylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-(2-chlorophenyl)sulfinyl-4-ethylcyclohexane-1-carbonitrile is CCC1CCC(C#N)C(S(=O)c2ccccc2Cl)C1.
What is the InChIKey of 2-(2-chlorophenyl)sulfinyl-4-ethylcyclohexane-1-carbonitrile?
The InChIKey is QOFCCSZLLIFCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-2-11-7-8-12(10-17)15(9-11)19(18)14-6-4-3-5-13(14)16/h3-6,11-12,15H,2,7-9H2,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfinyl-4-ethylcyclohexane-1-carbonitrile?
2-(2-chlorophenyl)sulfinyl-4-ethylcyclohexane-1-carbonitrile has a molecular weight of 295.83 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfinyl-4-ethylcyclohexane-1-carbonitrile is sourced from PubChem (CID 64690449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).