1-(2,4-difluorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine

C17H15F5N2O4S2 — CID 134017145

IUPAC1-(2,4-difluorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H15F5N2O4S2/c18-12-5-6-16(14(19)11-12)30(27,28)24-9-7-23(8-10-24)29(25,26)15-4-2-1-3-13(15)17(20,21)22/h1-6,11H,7-10H2
InChIKeyCFMHMJXRBMPBBV-UHFFFAOYSA-N
MW470.44 g/mol
LogP2.68
Rot. Bonds4

About 1-(2,4-difluorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine

1-(2,4-difluorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine (PubChem CID 134017145) has the molecular formula C17H15F5N2O4S2 and a molecular weight of 470.44 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
PubChem CID134017145
Molecular FormulaC17H15F5N2O4S2
Molecular Weight470.44 g/mol
Exact Mass470.04
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H15F5N2O4S2/c18-12-5-6-16(14(19)11-12)30(27,28)24-9-7-23(8-10-24)29(25,26)15-4-2-1-3-13(15)17(20,21)22/h1-6,11H,7-10H2
InChIKeyCFMHMJXRBMPBBV-UHFFFAOYSA-N
XLogP2.68
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-difluorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(2,4-difluorophenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 10160041
1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 19684016
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 17455845
1-(2,6-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 26947080
1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 119961668
1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 19682650
4-cyclopropylidene-1-(2,4-difluorophenyl)sulfonylpiperidine
CID 121187241
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 43394304
1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 167882186
1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
CID 119959137
1-(2,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 19684927
1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 3465215

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine (CID 134017145) is 1-(2,4-difluorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine is O=S(=O)(c1ccc(F)cc1F)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine?
The InChIKey is CFMHMJXRBMPBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F5N2O4S2/c18-12-5-6-16(14(19)11-12)30(27,28)24-9-7-23(8-10-24)29(25,26)15-4-2-1-3-13(15)17(20,21)22/h1-6,11H,7-10H2.
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine?
1-(2,4-difluorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine has a molecular weight of 470.44 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 134017145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).