5-chloro-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine

C17H19ClN2O3S — CID 71798963

IUPAC5-chloro-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine
SMILESCc1ccc(S(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-13-2-5-16(6-3-13)24(21,22)20-10-8-15(9-11-20)23-17-7-4-14(18)12-19-17/h2-7,12,15H,8-11H2,1H3
InChIKeyCNGBQXUOTMROBW-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.28
Rot. Bonds4

About 5-chloro-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine

5-chloro-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine (PubChem CID 71798963) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 5-chloro-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name5-chloro-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine
PubChem CID71798963
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name5-chloro-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine
SMILESCc1ccc(S(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-13-2-5-16(6-3-13)24(21,22)20-10-8-15(9-11-20)23-17-7-4-14(18)12-19-17/h2-7,12,15H,8-11H2,1H3
InChIKeyCNGBQXUOTMROBW-UHFFFAOYSA-N
XLogP3.28
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.28
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-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine?
The IUPAC name of 5-chloro-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine (CID 71798963) is 5-chloro-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine.
What is the SMILES notation for 5-chloro-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine?
The canonical SMILES for 5-chloro-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine is Cc1ccc(S(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)cc1.
What is the InChIKey of 5-chloro-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine?
The InChIKey is CNGBQXUOTMROBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-13-2-5-16(6-3-13)24(21,22)20-10-8-15(9-11-20)23-17-7-4-14(18)12-19-17/h2-7,12,15H,8-11H2,1H3.
What are the key properties of 5-chloro-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine?
5-chloro-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine has a molecular weight of 366.87 g/mol, XLogP of 3.28, 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-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine is sourced from PubChem (CID 71798963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).