2-(4-methoxy-3-methylsulfonylphenyl)-4-methylpyridine

C14H15NO3S — CID 123440790

IUPAC2-(4-methoxy-3-methylsulfonylphenyl)-4-methylpyridine
SMILESCOc1ccc(-c2cc(C)ccn2)cc1S(C)(=O)=O
InChIInChI=1S/C14H15NO3S/c1-10-6-7-15-12(8-10)11-4-5-13(18-2)14(9-11)19(3,16)17/h4-9H,1-3H3
InChIKeyKESLVNIMEQPGAE-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.47
Rot. Bonds3

About 2-(4-methoxy-3-methylsulfonylphenyl)-4-methylpyridine

2-(4-methoxy-3-methylsulfonylphenyl)-4-methylpyridine (PubChem CID 123440790) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylsulfonylphenyl)-4-methylpyridine.

Molecular Properties

Compound Name2-(4-methoxy-3-methylsulfonylphenyl)-4-methylpyridine
PubChem CID123440790
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name2-(4-methoxy-3-methylsulfonylphenyl)-4-methylpyridine
SMILESCOc1ccc(-c2cc(C)ccn2)cc1S(C)(=O)=O
InChIInChI=1S/C14H15NO3S/c1-10-6-7-15-12(8-10)11-4-5-13(18-2)14(9-11)19(3,16)17/h4-9H,1-3H3
InChIKeyKESLVNIMEQPGAE-UHFFFAOYSA-N
XLogP2.47
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylsulfonylphenyl)-4-methylpyridine?
The IUPAC name of 2-(4-methoxy-3-methylsulfonylphenyl)-4-methylpyridine (CID 123440790) is 2-(4-methoxy-3-methylsulfonylphenyl)-4-methylpyridine.
What is the SMILES notation for 2-(4-methoxy-3-methylsulfonylphenyl)-4-methylpyridine?
The canonical SMILES for 2-(4-methoxy-3-methylsulfonylphenyl)-4-methylpyridine is COc1ccc(-c2cc(C)ccn2)cc1S(C)(=O)=O.
What is the InChIKey of 2-(4-methoxy-3-methylsulfonylphenyl)-4-methylpyridine?
The InChIKey is KESLVNIMEQPGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-10-6-7-15-12(8-10)11-4-5-13(18-2)14(9-11)19(3,16)17/h4-9H,1-3H3.
What are the key properties of 2-(4-methoxy-3-methylsulfonylphenyl)-4-methylpyridine?
2-(4-methoxy-3-methylsulfonylphenyl)-4-methylpyridine has a molecular weight of 277.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylsulfonylphenyl)-4-methylpyridine is sourced from PubChem (CID 123440790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).