1-[4-(4-fluorophenyl)sulfonyl-2-phenylpiperazin-1-yl]ethanone

C18H19FN2O3S — CID 118727891

IUPAC1-[4-(4-fluorophenyl)sulfonyl-2-phenylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1c1ccccc1
InChIInChI=1S/C18H19FN2O3S/c1-14(22)21-12-11-20(13-18(21)15-5-3-2-4-6-15)25(23,24)17-9-7-16(19)8-10-17/h2-10,18H,11-13H2,1H3
InChIKeyZNDJCLCWTRQFFE-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.42
Rot. Bonds3

About 1-[4-(4-fluorophenyl)sulfonyl-2-phenylpiperazin-1-yl]ethanone

1-[4-(4-fluorophenyl)sulfonyl-2-phenylpiperazin-1-yl]ethanone (PubChem CID 118727891) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)sulfonyl-2-phenylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)sulfonyl-2-phenylpiperazin-1-yl]ethanone
PubChem CID118727891
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name1-[4-(4-fluorophenyl)sulfonyl-2-phenylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1c1ccccc1
InChIInChI=1S/C18H19FN2O3S/c1-14(22)21-12-11-20(13-18(21)15-5-3-2-4-6-15)25(23,24)17-9-7-16(19)8-10-17/h2-10,18H,11-13H2,1H3
InChIKeyZNDJCLCWTRQFFE-UHFFFAOYSA-N
XLogP2.42
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-fluorophenyl)sulfonyl-2-phenylpiperazin-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

Related Compounds

4-(4-fluorophenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 53189132
(2R)-4-(4-fluorophenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 129418750
1-(4-methylsulfonyl-2-phenylpiperazin-1-yl)ethanone
CID 127244769
(2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine
CID 94915318
2-(4-acetyl-3-phenylpiperazin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 132773685
4-(4-fluorophenyl)sulfonyl-2-phenylthiomorpholine
CID 110711379
1-[4-(3-phenylpyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 51055236
(3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 93083334
2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]benzoic acid
CID 113083273
(2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 94915313
1-[(2S)-4-(3-fluorobenzoyl)-2-phenylpiperazin-1-yl]ethanone
CID 124991694
1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone
CID 742548

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)sulfonyl-2-phenylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)sulfonyl-2-phenylpiperazin-1-yl]ethanone (CID 118727891) is 1-[4-(4-fluorophenyl)sulfonyl-2-phenylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)sulfonyl-2-phenylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)sulfonyl-2-phenylpiperazin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1c1ccccc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)sulfonyl-2-phenylpiperazin-1-yl]ethanone?
The InChIKey is ZNDJCLCWTRQFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-14(22)21-12-11-20(13-18(21)15-5-3-2-4-6-15)25(23,24)17-9-7-16(19)8-10-17/h2-10,18H,11-13H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)sulfonyl-2-phenylpiperazin-1-yl]ethanone?
1-[4-(4-fluorophenyl)sulfonyl-2-phenylpiperazin-1-yl]ethanone has a molecular weight of 362.43 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)sulfonyl-2-phenylpiperazin-1-yl]ethanone is sourced from PubChem (CID 118727891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).