1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-(2-fluorophenyl)piperazine

C22H20ClFN2O2S — CID 983828

IUPAC1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-(2-fluorophenyl)piperazine
SMILESO=S(=O)(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H20ClFN2O2S/c23-19-9-5-17(6-10-19)18-7-11-20(12-8-18)29(27,28)26-15-13-25(14-16-26)22-4-2-1-3-21(22)24/h1-12H,13-16H2
InChIKeyICVNBQFRVJVARB-UHFFFAOYSA-N
MW430.93 g/mol
LogP4.66
Rot. Bonds4

About 1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-(2-fluorophenyl)piperazine

1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-(2-fluorophenyl)piperazine (PubChem CID 983828) has the molecular formula C22H20ClFN2O2S and a molecular weight of 430.93 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-(2-fluorophenyl)piperazine
PubChem CID983828
Molecular FormulaC22H20ClFN2O2S
Molecular Weight430.93 g/mol
Exact Mass430.09
IUPAC Name1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-(2-fluorophenyl)piperazine
SMILESO=S(=O)(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H20ClFN2O2S/c23-19-9-5-17(6-10-19)18-7-11-20(12-8-18)29(27,28)26-15-13-25(14-16-26)22-4-2-1-3-21(22)24/h1-12H,13-16H2
InChIKeyICVNBQFRVJVARB-UHFFFAOYSA-N
XLogP4.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.93
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-(2-fluorophenyl)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-(4-chlorophenyl)phenyl]sulfonyl-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-(2-fluorophenyl)piperazine (CID 983828) is 1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-(2-fluorophenyl)piperazine is O=S(=O)(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-(2-fluorophenyl)piperazine?
The InChIKey is ICVNBQFRVJVARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O2S/c23-19-9-5-17(6-10-19)18-7-11-20(12-8-18)29(27,28)26-15-13-25(14-16-26)22-4-2-1-3-21(22)24/h1-12H,13-16H2.
What are the key properties of 1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-(2-fluorophenyl)piperazine?
1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-(2-fluorophenyl)piperazine has a molecular weight of 430.93 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 983828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).