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

C15H20FNO4S — CID 73168108

IUPAC2-ethoxy-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FNO4S/c1-2-21-11-15(18)17-9-7-14(8-10-17)22(19,20)13-5-3-12(16)4-6-13/h3-6,14H,2,7-11H2,1H3
InChIKeyIKOANLJVUJNHJR-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.63
Rot. Bonds5

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

2-ethoxy-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone (PubChem CID 73168108) has the molecular formula C15H20FNO4S and a molecular weight of 329.39 g/mol. Its IUPAC name is 2-ethoxy-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone
PubChem CID73168108
Molecular FormulaC15H20FNO4S
Molecular Weight329.39 g/mol
Exact Mass329.11
IUPAC Name2-ethoxy-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FNO4S/c1-2-21-11-15(18)17-9-7-14(8-10-17)22(19,20)13-5-3-12(16)4-6-13/h3-6,14H,2,7-11H2,1H3
InChIKeyIKOANLJVUJNHJR-UHFFFAOYSA-N
XLogP1.63
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone (CID 73168108) is 2-ethoxy-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone is CCOCC(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-ethoxy-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone?
The InChIKey is IKOANLJVUJNHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4S/c1-2-21-11-15(18)17-9-7-14(8-10-17)22(19,20)13-5-3-12(16)4-6-13/h3-6,14H,2,7-11H2,1H3.
What are the key properties of 2-ethoxy-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone?
2-ethoxy-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone has a molecular weight of 329.39 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone is sourced from PubChem (CID 73168108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).