1-[2-(3-chlorophenyl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine

C19H22ClFN2O2S — CID 110602138

IUPAC1-[2-(3-chlorophenyl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCN(CCc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H22ClFN2O2S/c20-18-3-1-2-16(14-18)8-9-22-10-12-23(13-11-22)26(24,25)15-17-4-6-19(21)7-5-17/h1-7,14H,8-13,15H2
InChIKeyDPGWSBLCOCJHPL-UHFFFAOYSA-N
MW396.92 g/mol
LogP3.17
Rot. Bonds6

About 1-[2-(3-chlorophenyl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine

1-[2-(3-chlorophenyl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine (PubChem CID 110602138) has the molecular formula C19H22ClFN2O2S and a molecular weight of 396.92 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine
PubChem CID110602138
Molecular FormulaC19H22ClFN2O2S
Molecular Weight396.92 g/mol
Exact Mass396.11
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCN(CCc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H22ClFN2O2S/c20-18-3-1-2-16(14-18)8-9-22-10-12-23(13-11-22)26(24,25)15-17-4-6-19(21)7-5-17/h1-7,14H,8-13,15H2
InChIKeyDPGWSBLCOCJHPL-UHFFFAOYSA-N
XLogP3.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3-chlorophenyl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]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

4-(4-Chlorophenyl)sulfonyl-1-[2-(2,4-difluorophenyl)ethyl]piperidine
CID 11825520
{(2S)-2-(3-Chlorophenyl)-4-[4-(4-fluorophenyl)piperidyl]butyl}methyl(phenylsulfonyl)amine
CID 478410
1-(4-Chlorobenzenesulfonyl)-4-(2-phenylethyl)piperazine
CID 8159803
1-(3-Chlorobenzyl)-4-(phenylsulfonyl)piperazine
CID 1364863
1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 7510298
1-Benzylsulfonyl-4-[(3-fluorophenyl)methyl]piperazine
CID 9443040
1-(Benzylsulfonyl)-4-(3-chlorobenzyl)piperazine
CID 9443406
1-Benzyl-4-[(3-chlorobenzyl)sulfonyl]piperazine
CID 17741018
4-Benzyl-1-(3-chlorobenzylsulfonyl)piperidine
CID 71699216
1-(Benzylsulfonyl)-4-(2-chloro-4-fluorobenzyl)piperazine
CID 6465133
1-Benzyl-4-[(4-chlorobenzyl)sulfonyl]piperazine
CID 2225570
1-Benzylsulfonyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 9443410

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine (CID 110602138) is 1-[2-(3-chlorophenyl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine is O=S(=O)(Cc1ccc(F)cc1)N1CCN(CCc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine?
The InChIKey is DPGWSBLCOCJHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O2S/c20-18-3-1-2-16(14-18)8-9-22-10-12-23(13-11-22)26(24,25)15-17-4-6-19(21)7-5-17/h1-7,14H,8-13,15H2.
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine?
1-[2-(3-chlorophenyl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine has a molecular weight of 396.92 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine is sourced from PubChem (CID 110602138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).