2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(trifluoromethyl)pyridine

C14H11ClF3NO2S2 — CID 609897

IUPAC2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(trifluoromethyl)pyridine
SMILESO=S(=O)(CCSc1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClF3NO2S2/c15-11-2-4-12(5-3-11)23(20,21)8-7-22-13-6-1-10(9-19-13)14(16,17)18/h1-6,9H,7-8H2
InChIKeyLDZPPIJQANYYFM-UHFFFAOYSA-N
MW381.83 g/mol
LogP4.32
Rot. Bonds5

About 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(trifluoromethyl)pyridine

2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(trifluoromethyl)pyridine (PubChem CID 609897) has the molecular formula C14H11ClF3NO2S2 and a molecular weight of 381.83 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(trifluoromethyl)pyridine
PubChem CID609897
Molecular FormulaC14H11ClF3NO2S2
Molecular Weight381.83 g/mol
Exact Mass380.99
IUPAC Name2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(trifluoromethyl)pyridine
SMILESO=S(=O)(CCSc1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClF3NO2S2/c15-11-2-4-12(5-3-11)23(20,21)8-7-22-13-6-1-10(9-19-13)14(16,17)18/h1-6,9H,7-8H2
InChIKeyLDZPPIJQANYYFM-UHFFFAOYSA-N
XLogP4.32
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.83
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(trifluoromethyl)pyridine (CID 609897) is 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(trifluoromethyl)pyridine is O=S(=O)(CCSc1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(trifluoromethyl)pyridine?
The InChIKey is LDZPPIJQANYYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO2S2/c15-11-2-4-12(5-3-11)23(20,21)8-7-22-13-6-1-10(9-19-13)14(16,17)18/h1-6,9H,7-8H2.
What are the key properties of 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(trifluoromethyl)pyridine?
2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(trifluoromethyl)pyridine has a molecular weight of 381.83 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 609897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).