4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazin-2-one

C11H10ClF3N2O3S — CID 2464639

IUPAC4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCN1
InChIInChI=1S/C11H10ClF3N2O3S/c12-7-1-2-9(8(5-7)11(13,14)15)21(19,20)17-4-3-16-10(18)6-17/h1-2,5H,3-4,6H2,(H,16,18)
InChIKeyPFYCJXJLSMEDRN-UHFFFAOYSA-N
MW342.73 g/mol
LogP1.48
Rot. Bonds2

About 4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazin-2-one

4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazin-2-one (PubChem CID 2464639) has the molecular formula C11H10ClF3N2O3S and a molecular weight of 342.73 g/mol. Its IUPAC name is 4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazin-2-one
PubChem CID2464639
Molecular FormulaC11H10ClF3N2O3S
Molecular Weight342.73 g/mol
Exact Mass342.01
IUPAC Name4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCN1
InChIInChI=1S/C11H10ClF3N2O3S/c12-7-1-2-9(8(5-7)11(13,14)15)21(19,20)17-4-3-16-10(18)6-17/h1-2,5H,3-4,6H2,(H,16,18)
InChIKeyPFYCJXJLSMEDRN-UHFFFAOYSA-N
XLogP1.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.73
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazin-2-one 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 4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazin-2-one?
The IUPAC name of 4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazin-2-one (CID 2464639) is 4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazin-2-one.
What is the SMILES notation for 4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazin-2-one?
The canonical SMILES for 4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazin-2-one is O=C1CN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCN1.
What is the InChIKey of 4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazin-2-one?
The InChIKey is PFYCJXJLSMEDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O3S/c12-7-1-2-9(8(5-7)11(13,14)15)21(19,20)17-4-3-16-10(18)6-17/h1-2,5H,3-4,6H2,(H,16,18).
What are the key properties of 4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazin-2-one?
4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazin-2-one has a molecular weight of 342.73 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazin-2-one is sourced from PubChem (CID 2464639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).