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

C18H19ClN2O3S — CID 71798898

IUPAC3-chloro-2-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]oxypyridine
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C18H19ClN2O3S/c19-17-7-4-11-20-18(17)24-16-8-12-21(13-9-16)25(22,23)14-10-15-5-2-1-3-6-15/h1-7,10-11,14,16H,8-9,12-13H2/b14-10+
InChIKeyRLRODRIQRIJASI-GXDHUFHOSA-N
MW378.88 g/mol
LogP3.58
Rot. Bonds5

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

3-chloro-2-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]oxypyridine (PubChem CID 71798898) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 3-chloro-2-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name3-chloro-2-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]oxypyridine
PubChem CID71798898
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name3-chloro-2-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]oxypyridine
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C18H19ClN2O3S/c19-17-7-4-11-20-18(17)24-16-8-12-21(13-9-16)25(22,23)14-10-15-5-2-1-3-6-15/h1-7,10-11,14,16H,8-9,12-13H2/b14-10+
InChIKeyRLRODRIQRIJASI-GXDHUFHOSA-N
XLogP3.58
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]oxypyridine?
The IUPAC name of 3-chloro-2-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]oxypyridine (CID 71798898) is 3-chloro-2-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]oxypyridine.
What is the SMILES notation for 3-chloro-2-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]oxypyridine?
The canonical SMILES for 3-chloro-2-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]oxypyridine is O=S(=O)(/C=C/c1ccccc1)N1CCC(Oc2ncccc2Cl)CC1.
What is the InChIKey of 3-chloro-2-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]oxypyridine?
The InChIKey is RLRODRIQRIJASI-GXDHUFHOSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c19-17-7-4-11-20-18(17)24-16-8-12-21(13-9-16)25(22,23)14-10-15-5-2-1-3-6-15/h1-7,10-11,14,16H,8-9,12-13H2/b14-10+.
What are the key properties of 3-chloro-2-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]oxypyridine?
3-chloro-2-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]oxypyridine has a molecular weight of 378.88 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]oxypyridine is sourced from PubChem (CID 71798898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).