ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one

C13H18FNO3S — CID 143985374

IUPACethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one
SMILESCC.O=C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C11H12FNO3S.C2H6/c12-9-1-3-11(4-2-9)17(15,16)13-7-5-10(14)6-8-13;1-2/h1-4H,5-8H2;1-2H3
InChIKeySOOJXTFKCDKGIX-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.21
Rot. Bonds2

About ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one

ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one (PubChem CID 143985374) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one.

Molecular Properties

Compound Nameethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one
PubChem CID143985374
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Nameethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one
SMILESCC.O=C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C11H12FNO3S.C2H6/c12-9-1-3-11(4-2-9)17(15,16)13-7-5-10(14)6-8-13;1-2/h1-4H,5-8H2;1-2H3
InChIKeySOOJXTFKCDKGIX-UHFFFAOYSA-N
XLogP2.21
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one?
The IUPAC name of ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one (CID 143985374) is ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one.
What is the SMILES notation for ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one?
The canonical SMILES for ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one is CC.O=C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one?
The InChIKey is SOOJXTFKCDKGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3S.C2H6/c12-9-1-3-11(4-2-9)17(15,16)13-7-5-10(14)6-8-13;1-2/h1-4H,5-8H2;1-2H3.
What are the key properties of ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one?
ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one has a molecular weight of 287.36 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one is sourced from PubChem (CID 143985374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).