3-chloro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine

C17H16ClF3N2O4S — CID 71798900

IUPAC3-chloro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C17H16ClF3N2O4S/c18-15-2-1-9-22-16(15)26-12-7-10-23(11-8-12)28(24,25)14-5-3-13(4-6-14)27-17(19,20)21/h1-6,9,12H,7-8,10-11H2
InChIKeyYPKFDWIBPTYYKF-UHFFFAOYSA-N
MW436.84 g/mol
LogP3.87
Rot. Bonds5

About 3-chloro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine

3-chloro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine (PubChem CID 71798900) has the molecular formula C17H16ClF3N2O4S and a molecular weight of 436.84 g/mol. Its IUPAC name is 3-chloro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name3-chloro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine
PubChem CID71798900
Molecular FormulaC17H16ClF3N2O4S
Molecular Weight436.84 g/mol
Exact Mass436.05
IUPAC Name3-chloro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C17H16ClF3N2O4S/c18-15-2-1-9-22-16(15)26-12-7-10-23(11-8-12)28(24,25)14-5-3-13(4-6-14)27-17(19,20)21/h1-6,9,12H,7-8,10-11H2
InChIKeyYPKFDWIBPTYYKF-UHFFFAOYSA-N
XLogP3.87
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.84
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine?
The IUPAC name of 3-chloro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine (CID 71798900) is 3-chloro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine.
What is the SMILES notation for 3-chloro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine?
The canonical SMILES for 3-chloro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine is O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(Oc2ncccc2Cl)CC1.
What is the InChIKey of 3-chloro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine?
The InChIKey is YPKFDWIBPTYYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O4S/c18-15-2-1-9-22-16(15)26-12-7-10-23(11-8-12)28(24,25)14-5-3-13(4-6-14)27-17(19,20)21/h1-6,9,12H,7-8,10-11H2.
What are the key properties of 3-chloro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine?
3-chloro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine has a molecular weight of 436.84 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine is sourced from PubChem (CID 71798900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).