1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylpropan-1-one

C19H20Cl2N2O3S — CID 24945480

IUPAC1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylpropan-1-one
SMILESCC(C(=O)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C19H20Cl2N2O3S/c1-14(15-5-3-2-4-6-15)19(24)22-7-9-23(10-8-22)27(25,26)18-12-16(20)11-17(21)13-18/h2-6,11-14H,7-10H2,1H3
InChIKeyFPFNMMWHYYWULG-UHFFFAOYSA-N
MW427.35 g/mol
LogP3.63
Rot. Bonds4

About 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylpropan-1-one

1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylpropan-1-one (PubChem CID 24945480) has the molecular formula C19H20Cl2N2O3S and a molecular weight of 427.35 g/mol. Its IUPAC name is 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylpropan-1-one
PubChem CID24945480
Molecular FormulaC19H20Cl2N2O3S
Molecular Weight427.35 g/mol
Exact Mass426.06
IUPAC Name1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylpropan-1-one
SMILESCC(C(=O)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C19H20Cl2N2O3S/c1-14(15-5-3-2-4-6-15)19(24)22-7-9-23(10-8-22)27(25,26)18-12-16(20)11-17(21)13-18/h2-6,11-14H,7-10H2,1H3
InChIKeyFPFNMMWHYYWULG-UHFFFAOYSA-N
XLogP3.63
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylpropan-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

Cyclohexyl(4-(3,5-dichlorophenylsulfonyl)piperazin-1-yl)methanone
CID 24944972
1-(4-(3,5-Dichlorophenylsulfonyl)piperazin-1-yl)-2-(4-(trifluoromethyl)phenyl)ethanone
CID 24945479
4-(2-(4-(3,5-Dichlorophenylsulfonyl)piperazin-1-yl)-2-oxoethyl)benzonitrile
CID 24945635
1-(4-(3,5-Dichlorophenylsulfonyl)piperazin-1-yl)-3-(4-(trifluoromethyl)phenyl)propan-1-one
CID 24945636
1-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 3684814
1-(4-(3,5-Dichlorophenylsulfonyl)piperazin-1-yl)-2-(4-(trifluoromethyl)phenyl)propan-1-one
CID 24945315
1-(4-(3,5-Dichlorophenylsulfonyl)piperazin-1-yl)-2-phenylethanone
CID 24945317
1-(4-(3,5-Dichlorophenylsulfonyl)piperazin-1-yl)-2-methyl-2-phenylpropan-1-one
CID 24945559
1-(4-(3,5-Dichlorophenylsulfonyl)piperazin-1-yl)-2-(2-(trifluoromethyl)phenyl)ethanone
CID 24945637
1-(4-(3,5-Dichlorophenylsulfonyl)piperazin-1-yl)-2-(3-(trifluoromethyl)phenyl)ethanone
CID 24945796
1-[4-(Benzenesulfonyl)piperazin-1-yl]-3-(2-chlorophenyl)propan-1-one
CID 25162686
(1S,5S,6R)-10-(3,5-dichlorophenyl)sulfonyl-5-ethenyl-3-methyl-3,10-diazabicyclo[4.3.1]decan-2-one
CID 137652507

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylpropan-1-one (CID 24945480) is 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylpropan-1-one is CC(C(=O)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylpropan-1-one?
The InChIKey is FPFNMMWHYYWULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3S/c1-14(15-5-3-2-4-6-15)19(24)22-7-9-23(10-8-22)27(25,26)18-12-16(20)11-17(21)13-18/h2-6,11-14H,7-10H2,1H3.
What are the key properties of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylpropan-1-one?
1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylpropan-1-one has a molecular weight of 427.35 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 24945480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).