(1-ethylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanone

C14H18FNO3S — CID 1438147

IUPAC(1-ethylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanone
SMILESCCS(=O)(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNO3S/c1-2-20(18,19)16-9-7-12(8-10-16)14(17)11-3-5-13(15)6-4-11/h3-6,12H,2,7-10H2,1H3
InChIKeyPKFXRWGYOCUDTO-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.07
Rot. Bonds4

About (1-ethylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanone

(1-ethylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanone (PubChem CID 1438147) has the molecular formula C14H18FNO3S and a molecular weight of 299.37 g/mol. Its IUPAC name is (1-ethylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(1-ethylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanone
PubChem CID1438147
Molecular FormulaC14H18FNO3S
Molecular Weight299.37 g/mol
Exact Mass299.10
IUPAC Name(1-ethylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanone
SMILESCCS(=O)(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNO3S/c1-2-20(18,19)16-9-7-12(8-10-16)14(17)11-3-5-13(15)6-4-11/h3-6,12H,2,7-10H2,1H3
InChIKeyPKFXRWGYOCUDTO-UHFFFAOYSA-N
XLogP2.07
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (1-ethylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanone (CID 1438147) is (1-ethylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (1-ethylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (1-ethylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanone is CCS(=O)(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (1-ethylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanone?
The InChIKey is PKFXRWGYOCUDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3S/c1-2-20(18,19)16-9-7-12(8-10-16)14(17)11-3-5-13(15)6-4-11/h3-6,12H,2,7-10H2,1H3.
What are the key properties of (1-ethylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanone?
(1-ethylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanone has a molecular weight of 299.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 1438147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).