2-phenyl-6-(4-phenylpiperidin-1-yl)sulfonylpyridine

C22H22N2O2S — CID 58211112

IUPAC2-phenyl-6-(4-phenylpiperidin-1-yl)sulfonylpyridine
SMILESO=S(=O)(c1cccc(-c2ccccc2)n1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H22N2O2S/c25-27(26,22-13-7-12-21(23-22)20-10-5-2-6-11-20)24-16-14-19(15-17-24)18-8-3-1-4-9-18/h1-13,19H,14-17H2
InChIKeyUAMBUXXPGFLJKE-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.32
Rot. Bonds4

About 2-phenyl-6-(4-phenylpiperidin-1-yl)sulfonylpyridine

2-phenyl-6-(4-phenylpiperidin-1-yl)sulfonylpyridine (PubChem CID 58211112) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-phenyl-6-(4-phenylpiperidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name2-phenyl-6-(4-phenylpiperidin-1-yl)sulfonylpyridine
PubChem CID58211112
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name2-phenyl-6-(4-phenylpiperidin-1-yl)sulfonylpyridine
SMILESO=S(=O)(c1cccc(-c2ccccc2)n1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H22N2O2S/c25-27(26,22-13-7-12-21(23-22)20-10-5-2-6-11-20)24-16-14-19(15-17-24)18-8-3-1-4-9-18/h1-13,19H,14-17H2
InChIKeyUAMBUXXPGFLJKE-UHFFFAOYSA-N
XLogP4.32
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(4-phenylpiperidin-1-yl)sulfonylpyridine?
The IUPAC name of 2-phenyl-6-(4-phenylpiperidin-1-yl)sulfonylpyridine (CID 58211112) is 2-phenyl-6-(4-phenylpiperidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 2-phenyl-6-(4-phenylpiperidin-1-yl)sulfonylpyridine?
The canonical SMILES for 2-phenyl-6-(4-phenylpiperidin-1-yl)sulfonylpyridine is O=S(=O)(c1cccc(-c2ccccc2)n1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-phenyl-6-(4-phenylpiperidin-1-yl)sulfonylpyridine?
The InChIKey is UAMBUXXPGFLJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c25-27(26,22-13-7-12-21(23-22)20-10-5-2-6-11-20)24-16-14-19(15-17-24)18-8-3-1-4-9-18/h1-13,19H,14-17H2.
What are the key properties of 2-phenyl-6-(4-phenylpiperidin-1-yl)sulfonylpyridine?
2-phenyl-6-(4-phenylpiperidin-1-yl)sulfonylpyridine has a molecular weight of 378.50 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(4-phenylpiperidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 58211112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).