1-benzyl-4-[2-(4-chlorophenyl)sulfonylethyl]piperazine

C19H23ClN2O2S — CID 2823155

IUPAC1-benzyl-4-[2-(4-chlorophenyl)sulfonylethyl]piperazine
SMILESO=S(=O)(CCN1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O2S/c20-18-6-8-19(9-7-18)25(23,24)15-14-21-10-12-22(13-11-21)16-17-4-2-1-3-5-17/h1-9H,10-16H2
InChIKeyPPMJVDCSGTUDGE-UHFFFAOYSA-N
MW378.92 g/mol
LogP2.93
Rot. Bonds6

About 1-benzyl-4-[2-(4-chlorophenyl)sulfonylethyl]piperazine

1-benzyl-4-[2-(4-chlorophenyl)sulfonylethyl]piperazine (PubChem CID 2823155) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.92 g/mol. Its IUPAC name is 1-benzyl-4-[2-(4-chlorophenyl)sulfonylethyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[2-(4-chlorophenyl)sulfonylethyl]piperazine
PubChem CID2823155
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.92 g/mol
Exact Mass378.12
IUPAC Name1-benzyl-4-[2-(4-chlorophenyl)sulfonylethyl]piperazine
SMILESO=S(=O)(CCN1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O2S/c20-18-6-8-19(9-7-18)25(23,24)15-14-21-10-12-22(13-11-21)16-17-4-2-1-3-5-17/h1-9H,10-16H2
InChIKeyPPMJVDCSGTUDGE-UHFFFAOYSA-N
XLogP2.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.92
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-4-[2-(4-chlorophenyl)sulfonylethyl]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

1-Benzyl-4-[(4-chlorophenyl)sulfonyl]piperazine
CID 985373
4-(4-Chloro-benzenesulfonyl)-1-[2-(2,4-difluoro-phenyl)-ethyl]-4-fluoro-piperidine
CID 44387780
Piperazine, 1-(2-chloro-7-fluorodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate
CID 3041892
Piperazine, 1-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate
CID 3041882
4-(4-Chlorophenyl)sulfonyl-1-[2-(2,4-difluorophenyl)ethyl]piperidine
CID 11825520
1-{1-[4-(4-Chloro-benzenesulfonyl)-phenyl]-ethyl}-4-cyclohexyl-piperazine
CID 44312450
1-Benzyl-4-(2-[(4-fluorophenyl)sulfonyl]ethyl)piperazine
CID 608940
1-[2-(4-Chlorophenyl)sulfonyl-1-phenylethyl]piperidine
CID 2818845
4-Benzenesulfonyl-1-benzyl-piperidine
CID 11120635
1-(4-Chlorobenzenesulfonyl)-4-(2-phenylethyl)piperazine
CID 8159803
1-(4-Chlorophenyl)sulfonyl-2-phenylpiperidine
CID 46884324
4-chloro-N-[2-phenyl-2-(piperidin-1-yl)ethyl]benzene-1-sulfonamide
CID 3116171

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-(4-chlorophenyl)sulfonylethyl]piperazine?
The IUPAC name of 1-benzyl-4-[2-(4-chlorophenyl)sulfonylethyl]piperazine (CID 2823155) is 1-benzyl-4-[2-(4-chlorophenyl)sulfonylethyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[2-(4-chlorophenyl)sulfonylethyl]piperazine?
The canonical SMILES for 1-benzyl-4-[2-(4-chlorophenyl)sulfonylethyl]piperazine is O=S(=O)(CCN1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-benzyl-4-[2-(4-chlorophenyl)sulfonylethyl]piperazine?
The InChIKey is PPMJVDCSGTUDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c20-18-6-8-19(9-7-18)25(23,24)15-14-21-10-12-22(13-11-21)16-17-4-2-1-3-5-17/h1-9H,10-16H2.
What are the key properties of 1-benzyl-4-[2-(4-chlorophenyl)sulfonylethyl]piperazine?
1-benzyl-4-[2-(4-chlorophenyl)sulfonylethyl]piperazine has a molecular weight of 378.92 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-(4-chlorophenyl)sulfonylethyl]piperazine is sourced from PubChem (CID 2823155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).