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

C20H19Cl2F3N2O3S — CID 24945636

IUPAC1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C20H19Cl2F3N2O3S/c21-16-11-17(22)13-18(12-16)31(29,30)27-9-7-26(8-10-27)19(28)6-3-14-1-4-15(5-2-14)20(23,24)25/h1-2,4-5,11-13H,3,6-10H2
InChIKeyGOYBAYBWIMTDHO-UHFFFAOYSA-N
MW495.35 g/mol
LogP4.48
Rot. Bonds5

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

1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 24945636) 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]-3-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID24945636
Molecular FormulaC20H19Cl2F3N2O3S
Molecular Weight495.35 g/mol
Exact Mass494.04
IUPAC Name1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C20H19Cl2F3N2O3S/c21-16-11-17(22)13-18(12-16)31(29,30)27-9-7-26(8-10-27)19(28)6-3-14-1-4-15(5-2-14)20(23,24)25/h1-2,4-5,11-13H,3,6-10H2
InChIKeyGOYBAYBWIMTDHO-UHFFFAOYSA-N
XLogP4.48
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.35
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-(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
1-[(4-Chlorophenyl)sulfonyl]-4-(cyclohexylcarbonyl)piperazine
CID 2729567

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one (CID 24945636) is 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one is O=C(CCc1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is GOYBAYBWIMTDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2F3N2O3S/c21-16-11-17(22)13-18(12-16)31(29,30)27-9-7-26(8-10-27)19(28)6-3-14-1-4-15(5-2-14)20(23,24)25/h1-2,4-5,11-13H,3,6-10H2.
What are the key properties of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one?
1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 495.35 g/mol, XLogP of 4.48, 5 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]-3-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 24945636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).