1-(4-fluorophenyl)-2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethanone

C15H21FN2O4S — CID 110356968

IUPAC1-(4-fluorophenyl)-2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethanone
SMILESCOCCS(=O)(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O4S/c1-22-10-11-23(20,21)18-8-6-17(7-9-18)12-15(19)13-2-4-14(16)5-3-13/h2-5H,6-12H2,1H3
InChIKeyLQPIRCKMKQFEEU-UHFFFAOYSA-N
MW344.41 g/mol
LogP0.60
Rot. Bonds7

About 1-(4-fluorophenyl)-2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethanone

1-(4-fluorophenyl)-2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethanone (PubChem CID 110356968) has the molecular formula C15H21FN2O4S and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethanone
PubChem CID110356968
Molecular FormulaC15H21FN2O4S
Molecular Weight344.41 g/mol
Exact Mass344.12
IUPAC Name1-(4-fluorophenyl)-2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethanone
SMILESCOCCS(=O)(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O4S/c1-22-10-11-23(20,21)18-8-6-17(7-9-18)12-15(19)13-2-4-14(16)5-3-13/h2-5H,6-12H2,1H3
InChIKeyLQPIRCKMKQFEEU-UHFFFAOYSA-N
XLogP0.60
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-2-[4-[2-(2-methoxyethoxy)ethylsulfonyl]piperazin-1-yl]ethanone
CID 110611230
1-(4-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 15997423
1-(4-ethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 110366812
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
1-(4-propan-2-ylphenyl)-2-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 110366862
2-(4-fluorophenyl)-4-(2-methoxyethylsulfonyl)-1-methylpiperazine
CID 110617346
1-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 3674711
1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 13302047
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358942
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 4651067
2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110359006
1-(4-fluorophenyl)-2-piperazin-1-ylethanone
CID 16769083

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethanone (CID 110356968) is 1-(4-fluorophenyl)-2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethanone is COCCS(=O)(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethanone?
The InChIKey is LQPIRCKMKQFEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4S/c1-22-10-11-23(20,21)18-8-6-17(7-9-18)12-15(19)13-2-4-14(16)5-3-13/h2-5H,6-12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethanone?
1-(4-fluorophenyl)-2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethanone has a molecular weight of 344.41 g/mol, XLogP of 0.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110356968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).