2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine

C17H19ClN2O3S — CID 71799621

IUPAC2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine
SMILESCc1cccc(OC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C17H19ClN2O3S/c1-13-3-2-4-17(19-13)23-15-9-11-20(12-10-15)24(21,22)16-7-5-14(18)6-8-16/h2-8,15H,9-12H2,1H3
InChIKeySJIVURNIVTYHIO-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.28
Rot. Bonds4

About 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine

2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine (PubChem CID 71799621) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine
PubChem CID71799621
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine
SMILESCc1cccc(OC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C17H19ClN2O3S/c1-13-3-2-4-17(19-13)23-15-9-11-20(12-10-15)24(21,22)16-7-5-14(18)6-8-16/h2-8,15H,9-12H2,1H3
InChIKeySJIVURNIVTYHIO-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 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine?
The IUPAC name of 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine (CID 71799621) is 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine.
What is the SMILES notation for 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine?
The canonical SMILES for 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine is Cc1cccc(OC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine?
The InChIKey is SJIVURNIVTYHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-13-3-2-4-17(19-13)23-15-9-11-20(12-10-15)24(21,22)16-7-5-14(18)6-8-16/h2-8,15H,9-12H2,1H3.
What are the key properties of 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine?
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine 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 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine is sourced from PubChem (CID 71799621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).