1-(4-chlorophenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine

C17H16ClF3N2O4S2 — CID 3379706

IUPAC1-(4-chlorophenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H16ClF3N2O4S2/c18-14-3-7-16(8-4-14)29(26,27)23-11-9-22(10-12-23)28(24,25)15-5-1-13(2-6-15)17(19,20)21/h1-8H,9-12H2
InChIKeyLUZRCYCMUHMUSF-UHFFFAOYSA-N
MW468.91 g/mol
LogP3.05
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine

1-(4-chlorophenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine (PubChem CID 3379706) has the molecular formula C17H16ClF3N2O4S2 and a molecular weight of 468.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
PubChem CID3379706
Molecular FormulaC17H16ClF3N2O4S2
Molecular Weight468.91 g/mol
Exact Mass468.02
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H16ClF3N2O4S2/c18-14-3-7-16(8-4-14)29(26,27)23-11-9-22(10-12-23)28(24,25)15-5-1-13(2-6-15)17(19,20)21/h1-8H,9-12H2
InChIKeyLUZRCYCMUHMUSF-UHFFFAOYSA-N
XLogP3.05
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.91
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine (CID 3379706) is 1-(4-chlorophenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine is O=S(=O)(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine?
The InChIKey is LUZRCYCMUHMUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O4S2/c18-14-3-7-16(8-4-14)29(26,27)23-11-9-22(10-12-23)28(24,25)15-5-1-13(2-6-15)17(19,20)21/h1-8H,9-12H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine?
1-(4-chlorophenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine has a molecular weight of 468.91 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 3379706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).