1-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]ethanone

C20H22FNO3S — CID 24731936

IUPAC1-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]ethanone
SMILESCc1ccc(S(=O)(=O)C2CCN(CC(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H22FNO3S/c1-15-2-8-18(9-3-15)26(24,25)19-10-12-22(13-11-19)14-20(23)16-4-6-17(21)7-5-16/h2-9,19H,10-14H2,1H3
InChIKeyBOCKJWDDJGCFHL-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.26
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]ethanone

1-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]ethanone (PubChem CID 24731936) has the molecular formula C20H22FNO3S and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]ethanone
PubChem CID24731936
Molecular FormulaC20H22FNO3S
Molecular Weight375.47 g/mol
Exact Mass375.13
IUPAC Name1-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]ethanone
SMILESCc1ccc(S(=O)(=O)C2CCN(CC(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H22FNO3S/c1-15-2-8-18(9-3-15)26(24,25)19-10-12-22(13-11-19)14-20(23)16-4-6-17(21)7-5-16/h2-9,19H,10-14H2,1H3
InChIKeyBOCKJWDDJGCFHL-UHFFFAOYSA-N
XLogP3.26
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]ethanone (CID 24731936) is 1-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]ethanone is Cc1ccc(S(=O)(=O)C2CCN(CC(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]ethanone?
The InChIKey is BOCKJWDDJGCFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3S/c1-15-2-8-18(9-3-15)26(24,25)19-10-12-22(13-11-19)14-20(23)16-4-6-17(21)7-5-16/h2-9,19H,10-14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]ethanone?
1-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]ethanone has a molecular weight of 375.47 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]ethanone is sourced from PubChem (CID 24731936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).