3-benzylsulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one

C20H24N2O3S — CID 2228001

IUPAC3-benzylsulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(CCS(=O)(=O)Cc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H24N2O3S/c23-20(11-16-26(24,25)17-18-7-3-1-4-8-18)22-14-12-21(13-15-22)19-9-5-2-6-10-19/h1-10H,11-17H2
InChIKeyRAIHDDHRKNCEOD-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.34
Rot. Bonds6

About 3-benzylsulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one

3-benzylsulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 2228001) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-benzylsulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-benzylsulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID2228001
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name3-benzylsulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(CCS(=O)(=O)Cc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H24N2O3S/c23-20(11-16-26(24,25)17-18-7-3-1-4-8-18)22-14-12-21(13-15-22)19-9-5-2-6-10-19/h1-10H,11-17H2
InChIKeyRAIHDDHRKNCEOD-UHFFFAOYSA-N
XLogP2.34
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-benzylsulfonyl-1-(4-phenylpiperazin-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

1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
3-(4-methylphenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2265194
3-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 7177743
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
1-(4-methylsulfonylpiperazin-1-yl)-4-(4-phenylpiperazin-1-yl)butane-1,4-dione
CID 29136351
3-benzylsulfonyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 2230236
3-(benzylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109018934
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110853162
3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 127121714
3-(benzenesulfonyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 2424550
(Z)-5-phenyl-1-(4-phenylpiperazin-1-yl)pent-3-en-1-one
CID 143517257

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-benzylsulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 2228001) is 3-benzylsulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-benzylsulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-benzylsulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one is O=C(CCS(=O)(=O)Cc1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-benzylsulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is RAIHDDHRKNCEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-20(11-16-26(24,25)17-18-7-3-1-4-8-18)22-14-12-21(13-15-22)19-9-5-2-6-10-19/h1-10H,11-17H2.
What are the key properties of 3-benzylsulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one?
3-benzylsulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 372.49 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 2228001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).