1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]propan-1-one

C20H19Cl2F3N2O3S — CID 24945315

IUPAC1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCC(C(=O)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19Cl2F3N2O3S/c1-13(14-2-4-15(5-3-14)20(23,24)25)19(28)26-6-8-27(9-7-26)31(29,30)18-11-16(21)10-17(22)12-18/h2-5,10-13H,6-9H2,1H3
InChIKeyJVRUXONLQGYKBC-UHFFFAOYSA-N
MW495.35 g/mol
LogP4.65
Rot. Bonds4

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

1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 24945315) has the molecular formula C20H19Cl2F3N2O3S and a molecular weight of 495.35 g/mol. Its IUPAC name is 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID24945315
Molecular FormulaC20H19Cl2F3N2O3S
Molecular Weight495.35 g/mol
Exact Mass494.04
IUPAC Name1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCC(C(=O)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19Cl2F3N2O3S/c1-13(14-2-4-15(5-3-14)20(23,24)25)19(28)26-6-8-27(9-7-26)31(29,30)18-11-16(21)10-17(22)12-18/h2-5,10-13H,6-9H2,1H3
InChIKeyJVRUXONLQGYKBC-UHFFFAOYSA-N
XLogP4.65
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.35
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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
1-(4-(3,5-Dichlorophenylsulfonyl)piperazin-1-yl)-2-phenylpropan-1-one
CID 24945480
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-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
1-[4-(4-Fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylbutan-1-one
CID 16332607

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]propan-1-one (CID 24945315) is 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]propan-1-one is CC(C(=O)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is JVRUXONLQGYKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2F3N2O3S/c1-13(14-2-4-15(5-3-14)20(23,24)25)19(28)26-6-8-27(9-7-26)31(29,30)18-11-16(21)10-17(22)12-18/h2-5,10-13H,6-9H2,1H3.
What are the key properties of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]propan-1-one?
1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 495.35 g/mol, XLogP of 4.65, 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-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 24945315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).