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

C17H19ClN2O3S — CID 71798681

IUPAC2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC(Oc2ccccn2)CC1
InChIInChI=1S/C17H19ClN2O3S/c1-13-15(18)5-4-6-16(13)24(21,22)20-11-8-14(9-12-20)23-17-7-2-3-10-19-17/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyHAHCSVGZBQANGI-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.28
Rot. Bonds4

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

2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine (PubChem CID 71798681) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine
PubChem CID71798681
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC(Oc2ccccn2)CC1
InChIInChI=1S/C17H19ClN2O3S/c1-13-15(18)5-4-6-16(13)24(21,22)20-11-8-14(9-12-20)23-17-7-2-3-10-19-17/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyHAHCSVGZBQANGI-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-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine?
The IUPAC name of 2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine (CID 71798681) is 2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine.
What is the SMILES notation for 2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine?
The canonical SMILES for 2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine is Cc1c(Cl)cccc1S(=O)(=O)N1CCC(Oc2ccccn2)CC1.
What is the InChIKey of 2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine?
The InChIKey is HAHCSVGZBQANGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-13-15(18)5-4-6-16(13)24(21,22)20-11-8-14(9-12-20)23-17-7-2-3-10-19-17/h2-7,10,14H,8-9,11-12H2,1H3.
What are the key properties of 2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine?
2-[1-(3-chloro-2-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 2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine is sourced from PubChem (CID 71798681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).