5-chloro-2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine

C16H15ClF2N2O3S — CID 71798968

IUPAC5-chloro-2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCC(Oc2ccc(Cl)cn2)CC1
InChIInChI=1S/C16H15ClF2N2O3S/c17-11-1-2-16(20-10-11)24-14-3-5-21(6-4-14)25(22,23)15-8-12(18)7-13(19)9-15/h1-2,7-10,14H,3-6H2
InChIKeyBUHUMYUSGXCEHR-UHFFFAOYSA-N
MW388.82 g/mol
LogP3.25
Rot. Bonds4

About 5-chloro-2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine

5-chloro-2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine (PubChem CID 71798968) has the molecular formula C16H15ClF2N2O3S and a molecular weight of 388.82 g/mol. Its IUPAC name is 5-chloro-2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name5-chloro-2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine
PubChem CID71798968
Molecular FormulaC16H15ClF2N2O3S
Molecular Weight388.82 g/mol
Exact Mass388.05
IUPAC Name5-chloro-2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCC(Oc2ccc(Cl)cn2)CC1
InChIInChI=1S/C16H15ClF2N2O3S/c17-11-1-2-16(20-10-11)24-14-3-5-21(6-4-14)25(22,23)15-8-12(18)7-13(19)9-15/h1-2,7-10,14H,3-6H2
InChIKeyBUHUMYUSGXCEHR-UHFFFAOYSA-N
XLogP3.25
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine?
The IUPAC name of 5-chloro-2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine (CID 71798968) is 5-chloro-2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine.
What is the SMILES notation for 5-chloro-2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine?
The canonical SMILES for 5-chloro-2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine is O=S(=O)(c1cc(F)cc(F)c1)N1CCC(Oc2ccc(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine?
The InChIKey is BUHUMYUSGXCEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O3S/c17-11-1-2-16(20-10-11)24-14-3-5-21(6-4-14)25(22,23)15-8-12(18)7-13(19)9-15/h1-2,7-10,14H,3-6H2.
What are the key properties of 5-chloro-2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine?
5-chloro-2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine has a molecular weight of 388.82 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine is sourced from PubChem (CID 71798968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).