3-(2-fluorophenyl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one

C22H27FN2O3S — CID 9429151

IUPAC3-(2-fluorophenyl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccccc3F)CC2)cc1
InChIInChI=1S/C22H27FN2O3S/c1-2-5-18-8-11-20(12-9-18)29(27,28)25-16-14-24(15-17-25)22(26)13-10-19-6-3-4-7-21(19)23/h3-4,6-9,11-12H,2,5,10,13-17H2,1H3
InChIKeyUYLXLLHHRYIBCG-UHFFFAOYSA-N
MW418.53 g/mol
LogP3.24
Rot. Bonds7

About 3-(2-fluorophenyl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one

3-(2-fluorophenyl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one (PubChem CID 9429151) has the molecular formula C22H27FN2O3S and a molecular weight of 418.53 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
PubChem CID9429151
Molecular FormulaC22H27FN2O3S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC Name3-(2-fluorophenyl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccccc3F)CC2)cc1
InChIInChI=1S/C22H27FN2O3S/c1-2-5-18-8-11-20(12-9-18)29(27,28)25-16-14-24(15-17-25)22(26)13-10-19-6-3-4-7-21(19)23/h3-4,6-9,11-12H,2,5,10,13-17H2,1H3
InChIKeyUYLXLLHHRYIBCG-UHFFFAOYSA-N
XLogP3.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-fluorophenyl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 9429270
1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 9429043
3-(2-fluorophenyl)-1-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110603278
1-(4-ethylsulfonyl-1,4-diazepan-1-yl)-3-(2-fluorophenyl)propan-1-one
CID 110799513
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 7921506
2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119269764
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 4213467
1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)butane-1,4-dione
CID 26870722
3-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 4822535
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 9371091
3-(2-fluorophenyl)-1-[4-(3-methylsulfonylpropanoyl)piperazin-1-yl]propan-1-one
CID 110611427
2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817473

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The IUPAC name of 3-(2-fluorophenyl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one (CID 9429151) is 3-(2-fluorophenyl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one is CCCc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccccc3F)CC2)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The InChIKey is UYLXLLHHRYIBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3S/c1-2-5-18-8-11-20(12-9-18)29(27,28)25-16-14-24(15-17-25)22(26)13-10-19-6-3-4-7-21(19)23/h3-4,6-9,11-12H,2,5,10,13-17H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
3-(2-fluorophenyl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one has a molecular weight of 418.53 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 9429151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).