2-(2-benzylsulfonylphenyl)pyridine

C18H15NO2S — CID 102281426

IUPAC2-(2-benzylsulfonylphenyl)pyridine
SMILESO=S(=O)(Cc1ccccc1)c1ccccc1-c1ccccn1
InChIInChI=1S/C18H15NO2S/c20-22(21,14-15-8-2-1-3-9-15)18-12-5-4-10-16(18)17-11-6-7-13-19-17/h1-13H,14H2
InChIKeyYUIGUEVCRCOEJV-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.72
Rot. Bonds4

About 2-(2-benzylsulfonylphenyl)pyridine

2-(2-benzylsulfonylphenyl)pyridine (PubChem CID 102281426) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-(2-benzylsulfonylphenyl)pyridine.

Molecular Properties

Compound Name2-(2-benzylsulfonylphenyl)pyridine
PubChem CID102281426
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name2-(2-benzylsulfonylphenyl)pyridine
SMILESO=S(=O)(Cc1ccccc1)c1ccccc1-c1ccccn1
InChIInChI=1S/C18H15NO2S/c20-22(21,14-15-8-2-1-3-9-15)18-12-5-4-10-16(18)17-11-6-7-13-19-17/h1-13H,14H2
InChIKeyYUIGUEVCRCOEJV-UHFFFAOYSA-N
XLogP3.72
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylsulfonylphenyl)pyridine?
The IUPAC name of 2-(2-benzylsulfonylphenyl)pyridine (CID 102281426) is 2-(2-benzylsulfonylphenyl)pyridine.
What is the SMILES notation for 2-(2-benzylsulfonylphenyl)pyridine?
The canonical SMILES for 2-(2-benzylsulfonylphenyl)pyridine is O=S(=O)(Cc1ccccc1)c1ccccc1-c1ccccn1.
What is the InChIKey of 2-(2-benzylsulfonylphenyl)pyridine?
The InChIKey is YUIGUEVCRCOEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c20-22(21,14-15-8-2-1-3-9-15)18-12-5-4-10-16(18)17-11-6-7-13-19-17/h1-13H,14H2.
What are the key properties of 2-(2-benzylsulfonylphenyl)pyridine?
2-(2-benzylsulfonylphenyl)pyridine has a molecular weight of 309.39 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylsulfonylphenyl)pyridine is sourced from PubChem (CID 102281426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).