2-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine

C19H13ClF3NO2S — CID 10201705

IUPAC2-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine
SMILESCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H13ClF3NO2S/c1-27(25,26)16-8-4-12(5-9-16)17-10-14(19(21,22)23)11-24-18(17)13-2-6-15(20)7-3-13/h2-11H,1H3
InChIKeyUHTAKFNRLHWMCY-UHFFFAOYSA-N
MW411.83 g/mol
LogP5.49
Rot. Bonds3

About 2-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine

2-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine (PubChem CID 10201705) has the molecular formula C19H13ClF3NO2S and a molecular weight of 411.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine
PubChem CID10201705
Molecular FormulaC19H13ClF3NO2S
Molecular Weight411.83 g/mol
Exact Mass411.03
IUPAC Name2-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine
SMILESCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H13ClF3NO2S/c1-27(25,26)16-8-4-12(5-9-16)17-10-14(19(21,22)23)11-24-18(17)13-2-6-15(20)7-3-13/h2-11H,1H3
InChIKeyUHTAKFNRLHWMCY-UHFFFAOYSA-N
XLogP5.49
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.83
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine 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-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine (CID 10201705) is 2-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine is CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine?
The InChIKey is UHTAKFNRLHWMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3NO2S/c1-27(25,26)16-8-4-12(5-9-16)17-10-14(19(21,22)23)11-24-18(17)13-2-6-15(20)7-3-13/h2-11H,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine?
2-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine has a molecular weight of 411.83 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 10201705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).