1-(3,5-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine

C17H15Cl2F3N2O4S2 — CID 2810135

IUPAC1-(3,5-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H15Cl2F3N2O4S2/c18-13-9-14(19)11-16(10-13)30(27,28)24-6-4-23(5-7-24)29(25,26)15-3-1-2-12(8-15)17(20,21)22/h1-3,8-11H,4-7H2
InChIKeyYFZGLWPFPIIMQS-UHFFFAOYSA-N
MW503.35 g/mol
LogP3.71
Rot. Bonds4

About 1-(3,5-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine

1-(3,5-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine (PubChem CID 2810135) has the molecular formula C17H15Cl2F3N2O4S2 and a molecular weight of 503.35 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
PubChem CID2810135
Molecular FormulaC17H15Cl2F3N2O4S2
Molecular Weight503.35 g/mol
Exact Mass501.98
IUPAC Name1-(3,5-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H15Cl2F3N2O4S2/c18-13-9-14(19)11-16(10-13)30(27,28)24-6-4-23(5-7-24)29(25,26)15-3-1-2-12(8-15)17(20,21)22/h1-3,8-11H,4-7H2
InChIKeyYFZGLWPFPIIMQS-UHFFFAOYSA-N
XLogP3.71
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-(3,5-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine (CID 2810135) is 1-(3,5-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-(3,5-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine is O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-(3,5-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
The InChIKey is YFZGLWPFPIIMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F3N2O4S2/c18-13-9-14(19)11-16(10-13)30(27,28)24-6-4-23(5-7-24)29(25,26)15-3-1-2-12(8-15)17(20,21)22/h1-3,8-11H,4-7H2.
What are the key properties of 1-(3,5-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
1-(3,5-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine has a molecular weight of 503.35 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 2810135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).