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

C19H17Cl2F3N2O3S — CID 24945796

IUPAC1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C19H17Cl2F3N2O3S/c20-15-10-16(21)12-17(11-15)30(28,29)26-6-4-25(5-7-26)18(27)9-13-2-1-3-14(8-13)19(22,23)24/h1-3,8,10-12H,4-7,9H2
InChIKeyVJCOAHGJGIGIFQ-UHFFFAOYSA-N
MW481.32 g/mol
LogP4.09
Rot. Bonds4

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

1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 24945796) has the molecular formula C19H17Cl2F3N2O3S and a molecular weight of 481.32 g/mol. Its IUPAC name is 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID24945796
Molecular FormulaC19H17Cl2F3N2O3S
Molecular Weight481.32 g/mol
Exact Mass480.03
IUPAC Name1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C19H17Cl2F3N2O3S/c20-15-10-16(21)12-17(11-15)30(28,29)26-6-4-25(5-7-26)18(27)9-13-2-1-3-14(8-13)19(22,23)24/h1-3,8,10-12H,4-7,9H2
InChIKeyVJCOAHGJGIGIFQ-UHFFFAOYSA-N
XLogP4.09
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.32
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone (CID 24945796) is 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone is O=C(Cc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is VJCOAHGJGIGIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2F3N2O3S/c20-15-10-16(21)12-17(11-15)30(28,29)26-6-4-25(5-7-26)18(27)9-13-2-1-3-14(8-13)19(22,23)24/h1-3,8,10-12H,4-7,9H2.
What are the key properties of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 481.32 g/mol, XLogP of 4.09, 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-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 24945796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).