1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanone

C19H15Cl4F3N2O3S — CID 24944562

IUPAC1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1c(Cl)cc(C(F)(F)F)cc1Cl)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C19H15Cl4F3N2O3S/c20-12-7-13(21)9-14(8-12)32(30,31)28-3-1-27(2-4-28)18(29)10-15-16(22)5-11(6-17(15)23)19(24,25)26/h5-9H,1-4,10H2
InChIKeyQJEKQFNLBLPQEO-UHFFFAOYSA-N
MW550.21 g/mol
LogP5.39
Rot. Bonds4

About 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanone

1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanone (PubChem CID 24944562) has the molecular formula C19H15Cl4F3N2O3S and a molecular weight of 550.21 g/mol. Its IUPAC name is 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanone
PubChem CID24944562
Molecular FormulaC19H15Cl4F3N2O3S
Molecular Weight550.21 g/mol
Exact Mass547.95
IUPAC Name1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1c(Cl)cc(C(F)(F)F)cc1Cl)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C19H15Cl4F3N2O3S/c20-12-7-13(21)9-14(8-12)32(30,31)28-3-1-27(2-4-28)18(29)10-15-16(22)5-11(6-17(15)23)19(24,25)26/h5-9H,1-4,10H2
InChIKeyQJEKQFNLBLPQEO-UHFFFAOYSA-N
XLogP5.39
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.21
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanone (CID 24944562) is 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanone is O=C(Cc1c(Cl)cc(C(F)(F)F)cc1Cl)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is QJEKQFNLBLPQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl4F3N2O3S/c20-12-7-13(21)9-14(8-12)32(30,31)28-3-1-27(2-4-28)18(29)10-15-16(22)5-11(6-17(15)23)19(24,25)26/h5-9H,1-4,10H2.
What are the key properties of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanone?
1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 550.21 g/mol, XLogP of 5.39, 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-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 24944562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).