2-(3-fluoro-4-phenylmethoxyphenyl)-5-methylsulfonylpyridine

C19H16FNO3S — CID 66673119

IUPAC2-(3-fluoro-4-phenylmethoxyphenyl)-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-c2ccc(OCc3ccccc3)c(F)c2)nc1
InChIInChI=1S/C19H16FNO3S/c1-25(22,23)16-8-9-18(21-12-16)15-7-10-19(17(20)11-15)24-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3
InChIKeyMHYDLNRSFQDAGU-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.87
Rot. Bonds5

About 2-(3-fluoro-4-phenylmethoxyphenyl)-5-methylsulfonylpyridine

2-(3-fluoro-4-phenylmethoxyphenyl)-5-methylsulfonylpyridine (PubChem CID 66673119) has the molecular formula C19H16FNO3S and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(3-fluoro-4-phenylmethoxyphenyl)-5-methylsulfonylpyridine.

Molecular Properties

Compound Name2-(3-fluoro-4-phenylmethoxyphenyl)-5-methylsulfonylpyridine
PubChem CID66673119
Molecular FormulaC19H16FNO3S
Molecular Weight357.41 g/mol
Exact Mass357.08
IUPAC Name2-(3-fluoro-4-phenylmethoxyphenyl)-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-c2ccc(OCc3ccccc3)c(F)c2)nc1
InChIInChI=1S/C19H16FNO3S/c1-25(22,23)16-8-9-18(21-12-16)15-7-10-19(17(20)11-15)24-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3
InChIKeyMHYDLNRSFQDAGU-UHFFFAOYSA-N
XLogP3.87
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-phenylmethoxyphenyl)-5-methylsulfonylpyridine?
The IUPAC name of 2-(3-fluoro-4-phenylmethoxyphenyl)-5-methylsulfonylpyridine (CID 66673119) is 2-(3-fluoro-4-phenylmethoxyphenyl)-5-methylsulfonylpyridine.
What is the SMILES notation for 2-(3-fluoro-4-phenylmethoxyphenyl)-5-methylsulfonylpyridine?
The canonical SMILES for 2-(3-fluoro-4-phenylmethoxyphenyl)-5-methylsulfonylpyridine is CS(=O)(=O)c1ccc(-c2ccc(OCc3ccccc3)c(F)c2)nc1.
What is the InChIKey of 2-(3-fluoro-4-phenylmethoxyphenyl)-5-methylsulfonylpyridine?
The InChIKey is MHYDLNRSFQDAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S/c1-25(22,23)16-8-9-18(21-12-16)15-7-10-19(17(20)11-15)24-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3.
What are the key properties of 2-(3-fluoro-4-phenylmethoxyphenyl)-5-methylsulfonylpyridine?
2-(3-fluoro-4-phenylmethoxyphenyl)-5-methylsulfonylpyridine has a molecular weight of 357.41 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-phenylmethoxyphenyl)-5-methylsulfonylpyridine is sourced from PubChem (CID 66673119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).