2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone

C14H19FN2O3S — CID 120736236

IUPAC2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
SMILESCCS(=O)(=O)CC(=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C14H19FN2O3S/c1-2-21(19,20)10-14(18)17-7-6-16-9-13(17)11-4-3-5-12(15)8-11/h3-5,8,13,16H,2,6-7,9-10H2,1H3
InChIKeyBDSLHYUUIWKTRE-UHFFFAOYSA-N
MW314.38 g/mol
LogP0.73
Rot. Bonds4

About 2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone

2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 120736236) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID120736236
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC Name2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
SMILESCCS(=O)(=O)CC(=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C14H19FN2O3S/c1-2-21(19,20)10-14(18)17-7-6-16-9-13(17)11-4-3-5-12(15)8-11/h3-5,8,13,16H,2,6-7,9-10H2,1H3
InChIKeyBDSLHYUUIWKTRE-UHFFFAOYSA-N
XLogP0.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride
CID 120737225
3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one
CID 120736504
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
CID 120735579
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-propylsulfonylethanone
CID 120801882
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[methyl(propyl)amino]ethanone
CID 120735825
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride
CID 120737437
2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120737774
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 120737290
2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120736006
2-(4-fluorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736085
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 120737844
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 120737106

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone (CID 120736236) is 2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone is CCS(=O)(=O)CC(=O)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of 2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is BDSLHYUUIWKTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-2-21(19,20)10-14(18)17-7-6-16-9-13(17)11-4-3-5-12(15)8-11/h3-5,8,13,16H,2,6-7,9-10H2,1H3.
What are the key properties of 2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone?
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 314.38 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 120736236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).