3-(4-fluorophenyl)sulfonyl-1-(4-methoxypiperidin-1-yl)-2-methylpropan-1-one

C16H22FNO4S — CID 71856980

IUPAC3-(4-fluorophenyl)sulfonyl-1-(4-methoxypiperidin-1-yl)-2-methylpropan-1-one
SMILESCOC1CCN(C(=O)C(C)CS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO4S/c1-12(16(19)18-9-7-14(22-2)8-10-18)11-23(20,21)15-5-3-13(17)4-6-15/h3-6,12,14H,7-11H2,1-2H3
InChIKeyFLGSHSKAFWBSDJ-UHFFFAOYSA-N
MW343.42 g/mol
LogP1.87
Rot. Bonds5

About 3-(4-fluorophenyl)sulfonyl-1-(4-methoxypiperidin-1-yl)-2-methylpropan-1-one

3-(4-fluorophenyl)sulfonyl-1-(4-methoxypiperidin-1-yl)-2-methylpropan-1-one (PubChem CID 71856980) has the molecular formula C16H22FNO4S and a molecular weight of 343.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-1-(4-methoxypiperidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-1-(4-methoxypiperidin-1-yl)-2-methylpropan-1-one
PubChem CID71856980
Molecular FormulaC16H22FNO4S
Molecular Weight343.42 g/mol
Exact Mass343.13
IUPAC Name3-(4-fluorophenyl)sulfonyl-1-(4-methoxypiperidin-1-yl)-2-methylpropan-1-one
SMILESCOC1CCN(C(=O)C(C)CS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO4S/c1-12(16(19)18-9-7-14(22-2)8-10-18)11-23(20,21)15-5-3-13(17)4-6-15/h3-6,12,14H,7-11H2,1-2H3
InChIKeyFLGSHSKAFWBSDJ-UHFFFAOYSA-N
XLogP1.87
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-1-(4-methoxypiperidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-1-(4-methoxypiperidin-1-yl)-2-methylpropan-1-one (CID 71856980) is 3-(4-fluorophenyl)sulfonyl-1-(4-methoxypiperidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-1-(4-methoxypiperidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-1-(4-methoxypiperidin-1-yl)-2-methylpropan-1-one is COC1CCN(C(=O)C(C)CS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-1-(4-methoxypiperidin-1-yl)-2-methylpropan-1-one?
The InChIKey is FLGSHSKAFWBSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO4S/c1-12(16(19)18-9-7-14(22-2)8-10-18)11-23(20,21)15-5-3-13(17)4-6-15/h3-6,12,14H,7-11H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-1-(4-methoxypiperidin-1-yl)-2-methylpropan-1-one?
3-(4-fluorophenyl)sulfonyl-1-(4-methoxypiperidin-1-yl)-2-methylpropan-1-one has a molecular weight of 343.42 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-1-(4-methoxypiperidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 71856980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).