2-fluoro-1-phenyl-2-pyrimidin-2-ylsulfonylethanone

C12H9FN2O3S — CID 164683211

IUPAC2-fluoro-1-phenyl-2-pyrimidin-2-ylsulfonylethanone
SMILESO=C(c1ccccc1)C(F)S(=O)(=O)c1ncccn1
InChIInChI=1S/C12H9FN2O3S/c13-11(10(16)9-5-2-1-3-6-9)19(17,18)12-14-7-4-8-15-12/h1-8,11H
InChIKeyWNOQVOLWEQIRLG-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.43
Rot. Bonds4

About 2-fluoro-1-phenyl-2-pyrimidin-2-ylsulfonylethanone

2-fluoro-1-phenyl-2-pyrimidin-2-ylsulfonylethanone (PubChem CID 164683211) has the molecular formula C12H9FN2O3S and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-fluoro-1-phenyl-2-pyrimidin-2-ylsulfonylethanone.

Molecular Properties

Compound Name2-fluoro-1-phenyl-2-pyrimidin-2-ylsulfonylethanone
PubChem CID164683211
Molecular FormulaC12H9FN2O3S
Molecular Weight280.28 g/mol
Exact Mass280.03
IUPAC Name2-fluoro-1-phenyl-2-pyrimidin-2-ylsulfonylethanone
SMILESO=C(c1ccccc1)C(F)S(=O)(=O)c1ncccn1
InChIInChI=1S/C12H9FN2O3S/c13-11(10(16)9-5-2-1-3-6-9)19(17,18)12-14-7-4-8-15-12/h1-8,11H
InChIKeyWNOQVOLWEQIRLG-UHFFFAOYSA-N
XLogP1.43
TPSA76.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-phenyl-2-pyrimidin-2-ylsulfonylethanone?
The IUPAC name of 2-fluoro-1-phenyl-2-pyrimidin-2-ylsulfonylethanone (CID 164683211) is 2-fluoro-1-phenyl-2-pyrimidin-2-ylsulfonylethanone.
What is the SMILES notation for 2-fluoro-1-phenyl-2-pyrimidin-2-ylsulfonylethanone?
The canonical SMILES for 2-fluoro-1-phenyl-2-pyrimidin-2-ylsulfonylethanone is O=C(c1ccccc1)C(F)S(=O)(=O)c1ncccn1.
What is the InChIKey of 2-fluoro-1-phenyl-2-pyrimidin-2-ylsulfonylethanone?
The InChIKey is WNOQVOLWEQIRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3S/c13-11(10(16)9-5-2-1-3-6-9)19(17,18)12-14-7-4-8-15-12/h1-8,11H.
What are the key properties of 2-fluoro-1-phenyl-2-pyrimidin-2-ylsulfonylethanone?
2-fluoro-1-phenyl-2-pyrimidin-2-ylsulfonylethanone has a molecular weight of 280.28 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-phenyl-2-pyrimidin-2-ylsulfonylethanone is sourced from PubChem (CID 164683211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).