2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]oxy-5-(trifluoromethyl)pyridine

C19H21F3N2O3S — CID 71798794

IUPAC2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]oxy-5-(trifluoromethyl)pyridine
SMILESCc1ccc(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)c(C)c1
InChIInChI=1S/C19H21F3N2O3S/c1-13-3-5-17(14(2)11-13)28(25,26)24-9-7-16(8-10-24)27-18-6-4-15(12-23-18)19(20,21)22/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyVHBNDGUWOGVXCG-UHFFFAOYSA-N
MW414.45 g/mol
LogP3.95
Rot. Bonds4

About 2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]oxy-5-(trifluoromethyl)pyridine

2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]oxy-5-(trifluoromethyl)pyridine (PubChem CID 71798794) has the molecular formula C19H21F3N2O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]oxy-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]oxy-5-(trifluoromethyl)pyridine
PubChem CID71798794
Molecular FormulaC19H21F3N2O3S
Molecular Weight414.45 g/mol
Exact Mass414.12
IUPAC Name2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]oxy-5-(trifluoromethyl)pyridine
SMILESCc1ccc(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)c(C)c1
InChIInChI=1S/C19H21F3N2O3S/c1-13-3-5-17(14(2)11-13)28(25,26)24-9-7-16(8-10-24)27-18-6-4-15(12-23-18)19(20,21)22/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyVHBNDGUWOGVXCG-UHFFFAOYSA-N
XLogP3.95
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]oxy-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]oxy-5-(trifluoromethyl)pyridine (CID 71798794) is 2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]oxy-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]oxy-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]oxy-5-(trifluoromethyl)pyridine is Cc1ccc(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)c(C)c1.
What is the InChIKey of 2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]oxy-5-(trifluoromethyl)pyridine?
The InChIKey is VHBNDGUWOGVXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3S/c1-13-3-5-17(14(2)11-13)28(25,26)24-9-7-16(8-10-24)27-18-6-4-15(12-23-18)19(20,21)22/h3-6,11-12,16H,7-10H2,1-2H3.
What are the key properties of 2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]oxy-5-(trifluoromethyl)pyridine?
2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]oxy-5-(trifluoromethyl)pyridine has a molecular weight of 414.45 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]oxy-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 71798794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).