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

C21H23FN2O4S — CID 9429270

IUPAC1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccccc3F)CC2)cc1
InChIInChI=1S/C21H23FN2O4S/c1-16(25)17-6-9-19(10-7-17)29(27,28)24-14-12-23(13-15-24)21(26)11-8-18-4-2-3-5-20(18)22/h2-7,9-10H,8,11-15H2,1H3
InChIKeyPWOBAFJLQQLOCR-UHFFFAOYSA-N
MW418.49 g/mol
LogP2.49
Rot. Bonds6

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

1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one (PubChem CID 9429270) has the molecular formula C21H23FN2O4S and a molecular weight of 418.49 g/mol. Its IUPAC name is 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
PubChem CID9429270
Molecular FormulaC21H23FN2O4S
Molecular Weight418.49 g/mol
Exact Mass418.14
IUPAC Name1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccccc3F)CC2)cc1
InChIInChI=1S/C21H23FN2O4S/c1-16(25)17-6-9-19(10-7-17)29(27,28)24-14-12-23(13-15-24)21(26)11-8-18-4-2-3-5-20(18)22/h2-7,9-10H,8,11-15H2,1H3
InChIKeyPWOBAFJLQQLOCR-UHFFFAOYSA-N
XLogP2.49
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluorophenyl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 9429151
1-[4-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 110412144
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-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 9011525
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 52687597
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 4213467
1-(4-ethylsulfonyl-1,4-diazepan-1-yl)-3-(2-fluorophenyl)propan-1-one
CID 110799513
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 9371091
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 7921506
4-(4-acetylphenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 4841380
3-(2-fluorophenyl)-1-[4-(3-methylsulfonylpropanoyl)piperazin-1-yl]propan-1-one
CID 110611427

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one?
The IUPAC name of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one (CID 9429270) is 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one?
The canonical SMILES for 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one is CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccccc3F)CC2)cc1.
What is the InChIKey of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one?
The InChIKey is PWOBAFJLQQLOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4S/c1-16(25)17-6-9-19(10-7-17)29(27,28)24-14-12-23(13-15-24)21(26)11-8-18-4-2-3-5-20(18)22/h2-7,9-10H,8,11-15H2,1H3.
What are the key properties of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one?
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one has a molecular weight of 418.49 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one is sourced from PubChem (CID 9429270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).