1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfinylpropyl]piperazine

C19H22ClFN2OS — CID 90644067

IUPAC1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfinylpropyl]piperazine
SMILESO=S(CCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H22ClFN2OS/c20-16-2-6-18(7-3-16)23-13-11-22(12-14-23)10-1-15-25(24)19-8-4-17(21)5-9-19/h2-9H,1,10-15H2
InChIKeyFIIJQHSUFMYWQS-UHFFFAOYSA-N
MW380.92 g/mol
LogP3.80
Rot. Bonds6

About 1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfinylpropyl]piperazine

1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfinylpropyl]piperazine (PubChem CID 90644067) has the molecular formula C19H22ClFN2OS and a molecular weight of 380.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfinylpropyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfinylpropyl]piperazine
PubChem CID90644067
Molecular FormulaC19H22ClFN2OS
Molecular Weight380.92 g/mol
Exact Mass380.11
IUPAC Name1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfinylpropyl]piperazine
SMILESO=S(CCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H22ClFN2OS/c20-16-2-6-18(7-3-16)23-13-11-22(12-14-23)10-1-15-25(24)19-8-4-17(21)5-9-19/h2-9H,1,10-15H2
InChIKeyFIIJQHSUFMYWQS-UHFFFAOYSA-N
XLogP3.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfinylpropyl]piperazine 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 1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfinylpropyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfinylpropyl]piperazine (CID 90644067) is 1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfinylpropyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfinylpropyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfinylpropyl]piperazine is O=S(CCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfinylpropyl]piperazine?
The InChIKey is FIIJQHSUFMYWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2OS/c20-16-2-6-18(7-3-16)23-13-11-22(12-14-23)10-1-15-25(24)19-8-4-17(21)5-9-19/h2-9H,1,10-15H2.
What are the key properties of 1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfinylpropyl]piperazine?
1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfinylpropyl]piperazine has a molecular weight of 380.92 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfinylpropyl]piperazine is sourced from PubChem (CID 90644067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).