2-(3,4-dimethylphenyl)-3-methyl-5-methylsulfonylpyridine

C15H17NO2S — CID 123499908

IUPAC2-(3,4-dimethylphenyl)-3-methyl-5-methylsulfonylpyridine
SMILESCc1ccc(-c2ncc(S(C)(=O)=O)cc2C)cc1C
InChIInChI=1S/C15H17NO2S/c1-10-5-6-13(7-11(10)2)15-12(3)8-14(9-16-15)19(4,17)18/h5-9H,1-4H3
InChIKeyIIRNHZPWFURQTD-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.08
Rot. Bonds2

About 2-(3,4-dimethylphenyl)-3-methyl-5-methylsulfonylpyridine

2-(3,4-dimethylphenyl)-3-methyl-5-methylsulfonylpyridine (PubChem CID 123499908) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-3-methyl-5-methylsulfonylpyridine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-3-methyl-5-methylsulfonylpyridine
PubChem CID123499908
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-(3,4-dimethylphenyl)-3-methyl-5-methylsulfonylpyridine
SMILESCc1ccc(-c2ncc(S(C)(=O)=O)cc2C)cc1C
InChIInChI=1S/C15H17NO2S/c1-10-5-6-13(7-11(10)2)15-12(3)8-14(9-16-15)19(4,17)18/h5-9H,1-4H3
InChIKeyIIRNHZPWFURQTD-UHFFFAOYSA-N
XLogP3.08
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-3-methyl-5-methylsulfonylpyridine?
The IUPAC name of 2-(3,4-dimethylphenyl)-3-methyl-5-methylsulfonylpyridine (CID 123499908) is 2-(3,4-dimethylphenyl)-3-methyl-5-methylsulfonylpyridine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-3-methyl-5-methylsulfonylpyridine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-3-methyl-5-methylsulfonylpyridine is Cc1ccc(-c2ncc(S(C)(=O)=O)cc2C)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-3-methyl-5-methylsulfonylpyridine?
The InChIKey is IIRNHZPWFURQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-10-5-6-13(7-11(10)2)15-12(3)8-14(9-16-15)19(4,17)18/h5-9H,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-3-methyl-5-methylsulfonylpyridine?
2-(3,4-dimethylphenyl)-3-methyl-5-methylsulfonylpyridine has a molecular weight of 275.37 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-3-methyl-5-methylsulfonylpyridine is sourced from PubChem (CID 123499908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).