2-(4-methoxyphenyl)sulfonylpyridine

C12H11NO3S — CID 19759076

IUPAC2-(4-methoxyphenyl)sulfonylpyridine
SMILESCOc1ccc(S(=O)(=O)c2ccccn2)cc1
InChIInChI=1S/C12H11NO3S/c1-16-10-5-7-11(8-6-10)17(14,15)12-4-2-3-9-13-12/h2-9H,1H3
InChIKeyHBPGKVXQIXTACW-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.92
Rot. Bonds3

About 2-(4-methoxyphenyl)sulfonylpyridine

2-(4-methoxyphenyl)sulfonylpyridine (PubChem CID 19759076) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfonylpyridine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfonylpyridine
PubChem CID19759076
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name2-(4-methoxyphenyl)sulfonylpyridine
SMILESCOc1ccc(S(=O)(=O)c2ccccn2)cc1
InChIInChI=1S/C12H11NO3S/c1-16-10-5-7-11(8-6-10)17(14,15)12-4-2-3-9-13-12/h2-9H,1H3
InChIKeyHBPGKVXQIXTACW-UHFFFAOYSA-N
XLogP1.92
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfonylpyridine?
The IUPAC name of 2-(4-methoxyphenyl)sulfonylpyridine (CID 19759076) is 2-(4-methoxyphenyl)sulfonylpyridine.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfonylpyridine?
The canonical SMILES for 2-(4-methoxyphenyl)sulfonylpyridine is COc1ccc(S(=O)(=O)c2ccccn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfonylpyridine?
The InChIKey is HBPGKVXQIXTACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-16-10-5-7-11(8-6-10)17(14,15)12-4-2-3-9-13-12/h2-9H,1H3.
What are the key properties of 2-(4-methoxyphenyl)sulfonylpyridine?
2-(4-methoxyphenyl)sulfonylpyridine has a molecular weight of 249.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfonylpyridine is sourced from PubChem (CID 19759076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).