2-[2-(4-methoxyphenyl)sulfonylphenyl]-3-methylpyridine

C19H17NO3S — CID 102423122

IUPAC2-[2-(4-methoxyphenyl)sulfonylphenyl]-3-methylpyridine
SMILESCOc1ccc(S(=O)(=O)c2ccccc2-c2ncccc2C)cc1
InChIInChI=1S/C19H17NO3S/c1-14-6-5-13-20-19(14)17-7-3-4-8-18(17)24(21,22)16-11-9-15(23-2)10-12-16/h3-13H,1-2H3
InChIKeyVQKDYXIMKADWII-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.90
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)sulfonylphenyl]-3-methylpyridine

2-[2-(4-methoxyphenyl)sulfonylphenyl]-3-methylpyridine (PubChem CID 102423122) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)sulfonylphenyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)sulfonylphenyl]-3-methylpyridine
PubChem CID102423122
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name2-[2-(4-methoxyphenyl)sulfonylphenyl]-3-methylpyridine
SMILESCOc1ccc(S(=O)(=O)c2ccccc2-c2ncccc2C)cc1
InChIInChI=1S/C19H17NO3S/c1-14-6-5-13-20-19(14)17-7-3-4-8-18(17)24(21,22)16-11-9-15(23-2)10-12-16/h3-13H,1-2H3
InChIKeyVQKDYXIMKADWII-UHFFFAOYSA-N
XLogP3.90
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)sulfonylphenyl]-3-methylpyridine?
The IUPAC name of 2-[2-(4-methoxyphenyl)sulfonylphenyl]-3-methylpyridine (CID 102423122) is 2-[2-(4-methoxyphenyl)sulfonylphenyl]-3-methylpyridine.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)sulfonylphenyl]-3-methylpyridine?
The canonical SMILES for 2-[2-(4-methoxyphenyl)sulfonylphenyl]-3-methylpyridine is COc1ccc(S(=O)(=O)c2ccccc2-c2ncccc2C)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)sulfonylphenyl]-3-methylpyridine?
The InChIKey is VQKDYXIMKADWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-14-6-5-13-20-19(14)17-7-3-4-8-18(17)24(21,22)16-11-9-15(23-2)10-12-16/h3-13H,1-2H3.
What are the key properties of 2-[2-(4-methoxyphenyl)sulfonylphenyl]-3-methylpyridine?
2-[2-(4-methoxyphenyl)sulfonylphenyl]-3-methylpyridine has a molecular weight of 339.42 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)sulfonylphenyl]-3-methylpyridine is sourced from PubChem (CID 102423122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).