3-(benzenesulfonyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one

C20H24N2O3S — CID 110416820

IUPAC3-(benzenesulfonyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CCS(=O)(=O)c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-21-13-14-22(16-19(21)17-8-4-2-5-9-17)20(23)12-15-26(24,25)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3
InChIKeyJBJBHLWGIJRKCF-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.37
Rot. Bonds5

About 3-(benzenesulfonyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one

3-(benzenesulfonyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one (PubChem CID 110416820) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
PubChem CID110416820
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name3-(benzenesulfonyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CCS(=O)(=O)c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-21-13-14-22(16-19(21)17-8-4-2-5-9-17)20(23)12-15-26(24,25)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3
InChIKeyJBJBHLWGIJRKCF-UHFFFAOYSA-N
XLogP2.37
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(benzenesulfonyl)-1-(4-methyl-3-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-(4-acetylpiperazin-1-yl)-3-(benzenesulfonyl)propan-1-one
CID 110294965
3-(2-methylimidazol-1-yl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 86284577
3-(benzenesulfonyl)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 17310076
3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110416826
1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-3-methylsulfonylpropan-1-one
CID 110610609
1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 77095873
3-(benzenesulfonyl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one
CID 17449768
1-[3-(benzenesulfonyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 63005902
3-(benzenesulfonyl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 17310128
3-(benzenesulfonyl)-1-(3,5-dimethyl-4-phenylpiperazin-1-yl)propan-1-one
CID 110616578
3-(benzenesulfonyl)-1-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]propan-1-one
CID 74234702
3-imidazol-1-yl-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110098304

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(benzenesulfonyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one (CID 110416820) is 3-(benzenesulfonyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(benzenesulfonyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(benzenesulfonyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one is CN1CCN(C(=O)CCS(=O)(=O)c2ccccc2)CC1c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is JBJBHLWGIJRKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-21-13-14-22(16-19(21)17-8-4-2-5-9-17)20(23)12-15-26(24,25)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one?
3-(benzenesulfonyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 372.49 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 110416820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).