2-fluoro-1-(4-methoxyphenyl)-2-pyridin-2-ylsulfonylethanone

C14H12FNO4S — CID 135073716

IUPAC2-fluoro-1-(4-methoxyphenyl)-2-pyridin-2-ylsulfonylethanone
SMILESCOc1ccc(C(=O)C(F)S(=O)(=O)c2ccccn2)cc1
InChIInChI=1S/C14H12FNO4S/c1-20-11-7-5-10(6-8-11)13(17)14(15)21(18,19)12-4-2-3-9-16-12/h2-9,14H,1H3
InChIKeyZVBBXLTWDFNKGV-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.04
Rot. Bonds5

About 2-fluoro-1-(4-methoxyphenyl)-2-pyridin-2-ylsulfonylethanone

2-fluoro-1-(4-methoxyphenyl)-2-pyridin-2-ylsulfonylethanone (PubChem CID 135073716) has the molecular formula C14H12FNO4S and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-fluoro-1-(4-methoxyphenyl)-2-pyridin-2-ylsulfonylethanone.

Molecular Properties

Compound Name2-fluoro-1-(4-methoxyphenyl)-2-pyridin-2-ylsulfonylethanone
PubChem CID135073716
Molecular FormulaC14H12FNO4S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Name2-fluoro-1-(4-methoxyphenyl)-2-pyridin-2-ylsulfonylethanone
SMILESCOc1ccc(C(=O)C(F)S(=O)(=O)c2ccccn2)cc1
InChIInChI=1S/C14H12FNO4S/c1-20-11-7-5-10(6-8-11)13(17)14(15)21(18,19)12-4-2-3-9-16-12/h2-9,14H,1H3
InChIKeyZVBBXLTWDFNKGV-UHFFFAOYSA-N
XLogP2.04
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(4-methoxyphenyl)-2-pyridin-2-ylsulfonylethanone?
The IUPAC name of 2-fluoro-1-(4-methoxyphenyl)-2-pyridin-2-ylsulfonylethanone (CID 135073716) is 2-fluoro-1-(4-methoxyphenyl)-2-pyridin-2-ylsulfonylethanone.
What is the SMILES notation for 2-fluoro-1-(4-methoxyphenyl)-2-pyridin-2-ylsulfonylethanone?
The canonical SMILES for 2-fluoro-1-(4-methoxyphenyl)-2-pyridin-2-ylsulfonylethanone is COc1ccc(C(=O)C(F)S(=O)(=O)c2ccccn2)cc1.
What is the InChIKey of 2-fluoro-1-(4-methoxyphenyl)-2-pyridin-2-ylsulfonylethanone?
The InChIKey is ZVBBXLTWDFNKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4S/c1-20-11-7-5-10(6-8-11)13(17)14(15)21(18,19)12-4-2-3-9-16-12/h2-9,14H,1H3.
What are the key properties of 2-fluoro-1-(4-methoxyphenyl)-2-pyridin-2-ylsulfonylethanone?
2-fluoro-1-(4-methoxyphenyl)-2-pyridin-2-ylsulfonylethanone has a molecular weight of 309.32 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(4-methoxyphenyl)-2-pyridin-2-ylsulfonylethanone is sourced from PubChem (CID 135073716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).