2-methoxy-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine

C15H17NO3S — CID 2768943

IUPAC2-methoxy-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine
SMILESCOc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C
InChIInChI=1S/C15H17NO3S/c1-10-7-5-6-8-13(10)20(17,18)14-11(2)9-12(3)16-15(14)19-4/h5-9H,1-4H3
InChIKeyISACKKBKPVOBQM-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.85
Rot. Bonds3

About 2-methoxy-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine

2-methoxy-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine (PubChem CID 2768943) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-methoxy-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine.

Molecular Properties

Compound Name2-methoxy-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine
PubChem CID2768943
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name2-methoxy-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine
SMILESCOc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C
InChIInChI=1S/C15H17NO3S/c1-10-7-5-6-8-13(10)20(17,18)14-11(2)9-12(3)16-15(14)19-4/h5-9H,1-4H3
InChIKeyISACKKBKPVOBQM-UHFFFAOYSA-N
XLogP2.85
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine?
The IUPAC name of 2-methoxy-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine (CID 2768943) is 2-methoxy-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine.
What is the SMILES notation for 2-methoxy-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine?
The canonical SMILES for 2-methoxy-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine is COc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C.
What is the InChIKey of 2-methoxy-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine?
The InChIKey is ISACKKBKPVOBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-10-7-5-6-8-13(10)20(17,18)14-11(2)9-12(3)16-15(14)19-4/h5-9H,1-4H3.
What are the key properties of 2-methoxy-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine?
2-methoxy-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine has a molecular weight of 291.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine is sourced from PubChem (CID 2768943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).