2-[5-methyl-2-(4-methylphenyl)sulfonylphenyl]pyridine

C19H17NO2S — CID 135001779

IUPAC2-[5-methyl-2-(4-methylphenyl)sulfonylphenyl]pyridine
SMILESCc1ccc(S(=O)(=O)c2ccc(C)cc2-c2ccccn2)cc1
InChIInChI=1S/C19H17NO2S/c1-14-6-9-16(10-7-14)23(21,22)19-11-8-15(2)13-17(19)18-5-3-4-12-20-18/h3-13H,1-2H3
InChIKeyPSJPUXUYSPNFRG-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.20
Rot. Bonds3

About 2-[5-methyl-2-(4-methylphenyl)sulfonylphenyl]pyridine

2-[5-methyl-2-(4-methylphenyl)sulfonylphenyl]pyridine (PubChem CID 135001779) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-[5-methyl-2-(4-methylphenyl)sulfonylphenyl]pyridine.

Molecular Properties

Compound Name2-[5-methyl-2-(4-methylphenyl)sulfonylphenyl]pyridine
PubChem CID135001779
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name2-[5-methyl-2-(4-methylphenyl)sulfonylphenyl]pyridine
SMILESCc1ccc(S(=O)(=O)c2ccc(C)cc2-c2ccccn2)cc1
InChIInChI=1S/C19H17NO2S/c1-14-6-9-16(10-7-14)23(21,22)19-11-8-15(2)13-17(19)18-5-3-4-12-20-18/h3-13H,1-2H3
InChIKeyPSJPUXUYSPNFRG-UHFFFAOYSA-N
XLogP4.20
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(4-methylphenyl)sulfonylphenyl]pyridine?
The IUPAC name of 2-[5-methyl-2-(4-methylphenyl)sulfonylphenyl]pyridine (CID 135001779) is 2-[5-methyl-2-(4-methylphenyl)sulfonylphenyl]pyridine.
What is the SMILES notation for 2-[5-methyl-2-(4-methylphenyl)sulfonylphenyl]pyridine?
The canonical SMILES for 2-[5-methyl-2-(4-methylphenyl)sulfonylphenyl]pyridine is Cc1ccc(S(=O)(=O)c2ccc(C)cc2-c2ccccn2)cc1.
What is the InChIKey of 2-[5-methyl-2-(4-methylphenyl)sulfonylphenyl]pyridine?
The InChIKey is PSJPUXUYSPNFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-14-6-9-16(10-7-14)23(21,22)19-11-8-15(2)13-17(19)18-5-3-4-12-20-18/h3-13H,1-2H3.
What are the key properties of 2-[5-methyl-2-(4-methylphenyl)sulfonylphenyl]pyridine?
2-[5-methyl-2-(4-methylphenyl)sulfonylphenyl]pyridine has a molecular weight of 323.42 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(4-methylphenyl)sulfonylphenyl]pyridine is sourced from PubChem (CID 135001779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).