2-[2-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]ethyl]pyridine

C22H24N2O3S — CID 24730942

IUPAC2-[2-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]ethyl]pyridine
SMILESO=S(=O)(c1ccc(-c2ccco2)cc1)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C22H24N2O3S/c25-28(26,20-8-6-18(7-9-20)22-5-3-17-27-22)21-11-15-24(16-12-21)14-10-19-4-1-2-13-23-19/h1-9,13,17,21H,10-12,14-16H2
InChIKeyKJCKRHHNLQVLOU-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.82
Rot. Bonds6

About 2-[2-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]ethyl]pyridine

2-[2-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]ethyl]pyridine (PubChem CID 24730942) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-[2-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]ethyl]pyridine.

Molecular Properties

Compound Name2-[2-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]ethyl]pyridine
PubChem CID24730942
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name2-[2-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]ethyl]pyridine
SMILESO=S(=O)(c1ccc(-c2ccco2)cc1)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C22H24N2O3S/c25-28(26,20-8-6-18(7-9-20)22-5-3-17-27-22)21-11-15-24(16-12-21)14-10-19-4-1-2-13-23-19/h1-9,13,17,21H,10-12,14-16H2
InChIKeyKJCKRHHNLQVLOU-UHFFFAOYSA-N
XLogP3.82
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]ethyl]pyridine?
The IUPAC name of 2-[2-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]ethyl]pyridine (CID 24730942) is 2-[2-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]ethyl]pyridine.
What is the SMILES notation for 2-[2-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]ethyl]pyridine?
The canonical SMILES for 2-[2-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]ethyl]pyridine is O=S(=O)(c1ccc(-c2ccco2)cc1)C1CCN(CCc2ccccn2)CC1.
What is the InChIKey of 2-[2-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]ethyl]pyridine?
The InChIKey is KJCKRHHNLQVLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c25-28(26,20-8-6-18(7-9-20)22-5-3-17-27-22)21-11-15-24(16-12-21)14-10-19-4-1-2-13-23-19/h1-9,13,17,21H,10-12,14-16H2.
What are the key properties of 2-[2-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]ethyl]pyridine?
2-[2-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]ethyl]pyridine has a molecular weight of 396.51 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]ethyl]pyridine is sourced from PubChem (CID 24730942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).