(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2S)-2-(4-fluorophenyl)-3-methylsulfonylpropyl]piperazine

C26H26Cl3FN2O2S — CID 158122083

IUPAC(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2S)-2-(4-fluorophenyl)-3-methylsulfonylpropyl]piperazine
SMILESCS(=O)(=O)C[C@H](CN1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1)c1ccc(F)cc1
InChIInChI=1S/C26H26Cl3FN2O2S/c1-35(33,34)17-20(18-4-9-23(30)10-5-18)15-31-12-13-32(25-11-8-22(28)14-24(25)29)26(16-31)19-2-6-21(27)7-3-19/h2-11,14,20,26H,12-13,15-17H2,1H3/t20-,26-/m0/s1
InChIKeyFRSNNBYQLHBCRE-FNZWTVRRSA-N
MW555.93 g/mol
LogP6.48
Rot. Bonds7

About (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2S)-2-(4-fluorophenyl)-3-methylsulfonylpropyl]piperazine

(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2S)-2-(4-fluorophenyl)-3-methylsulfonylpropyl]piperazine (PubChem CID 158122083) has the molecular formula C26H26Cl3FN2O2S and a molecular weight of 555.93 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2S)-2-(4-fluorophenyl)-3-methylsulfonylpropyl]piperazine.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2S)-2-(4-fluorophenyl)-3-methylsulfonylpropyl]piperazine
PubChem CID158122083
Molecular FormulaC26H26Cl3FN2O2S
Molecular Weight555.93 g/mol
Exact Mass554.08
IUPAC Name(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2S)-2-(4-fluorophenyl)-3-methylsulfonylpropyl]piperazine
SMILESCS(=O)(=O)C[C@H](CN1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1)c1ccc(F)cc1
InChIInChI=1S/C26H26Cl3FN2O2S/c1-35(33,34)17-20(18-4-9-23(30)10-5-18)15-31-12-13-32(25-11-8-22(28)14-24(25)29)26(16-31)19-2-6-21(27)7-3-19/h2-11,14,20,26H,12-13,15-17H2,1H3/t20-,26-/m0/s1
InChIKeyFRSNNBYQLHBCRE-FNZWTVRRSA-N
XLogP6.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.93
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2S)-2-(4-fluorophenyl)-3-methylsulfonylpropyl]piperazine 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

(1R)-2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-1-(3-fluorophenyl)ethanol
CID 123871612
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-phenylpropyl)piperazine
CID 11669776
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2S)-2-(4-isocyanophenyl)propyl]piperazine
CID 123538536
(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 143237586
1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-4-[(4-fluoro-3-methylphenyl)methyl]piperazine
CID 143237964
(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine
CID 59261970
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(1-phenylethoxymethyl)piperazine
CID 143237546
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 11649027
(1S)-2-[(3R)-3-(4-chlorophenyl)-4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
CID 123427422
3-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-methylpropanoic acid
CID 123994647
1-(2,4-dichlorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)piperazine
CID 149167124
(2S)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(3,4-difluorophenyl)propan-2-ol
CID 123654344

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2S)-2-(4-fluorophenyl)-3-methylsulfonylpropyl]piperazine?
The IUPAC name of (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2S)-2-(4-fluorophenyl)-3-methylsulfonylpropyl]piperazine (CID 158122083) is (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2S)-2-(4-fluorophenyl)-3-methylsulfonylpropyl]piperazine.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2S)-2-(4-fluorophenyl)-3-methylsulfonylpropyl]piperazine?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2S)-2-(4-fluorophenyl)-3-methylsulfonylpropyl]piperazine is CS(=O)(=O)C[C@H](CN1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2S)-2-(4-fluorophenyl)-3-methylsulfonylpropyl]piperazine?
The InChIKey is FRSNNBYQLHBCRE-FNZWTVRRSA-N. The full InChI is InChI=1S/C26H26Cl3FN2O2S/c1-35(33,34)17-20(18-4-9-23(30)10-5-18)15-31-12-13-32(25-11-8-22(28)14-24(25)29)26(16-31)19-2-6-21(27)7-3-19/h2-11,14,20,26H,12-13,15-17H2,1H3/t20-,26-/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2S)-2-(4-fluorophenyl)-3-methylsulfonylpropyl]piperazine?
(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2S)-2-(4-fluorophenyl)-3-methylsulfonylpropyl]piperazine has a molecular weight of 555.93 g/mol, XLogP of 6.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2S)-2-(4-fluorophenyl)-3-methylsulfonylpropyl]piperazine is sourced from PubChem (CID 158122083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).