2-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridine

C13H12FNO3S — CID 64715620

IUPAC2-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridine
SMILESCOc1cccc(CS(=O)(=O)c2ccccc2F)n1
InChIInChI=1S/C13H12FNO3S/c1-18-13-8-4-5-10(15-13)9-19(16,17)12-7-3-2-6-11(12)14/h2-8H,9H2,1H3
InChIKeyLTEUCLMBGHBMFY-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.20
Rot. Bonds4

About 2-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridine

2-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridine (PubChem CID 64715620) has the molecular formula C13H12FNO3S and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridine
PubChem CID64715620
Molecular FormulaC13H12FNO3S
Molecular Weight281.31 g/mol
Exact Mass281.05
IUPAC Name2-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridine
SMILESCOc1cccc(CS(=O)(=O)c2ccccc2F)n1
InChIInChI=1S/C13H12FNO3S/c1-18-13-8-4-5-10(15-13)9-19(16,17)12-7-3-2-6-11(12)14/h2-8H,9H2,1H3
InChIKeyLTEUCLMBGHBMFY-UHFFFAOYSA-N
XLogP2.20
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridine?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridine (CID 64715620) is 2-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridine.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridine?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridine is COc1cccc(CS(=O)(=O)c2ccccc2F)n1.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridine?
The InChIKey is LTEUCLMBGHBMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3S/c1-18-13-8-4-5-10(15-13)9-19(16,17)12-7-3-2-6-11(12)14/h2-8H,9H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridine?
2-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridine has a molecular weight of 281.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridine is sourced from PubChem (CID 64715620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).