1-[2-(benzenesulfonyl)ethyl]-4-[(3-chlorophenyl)methyl]piperazine

C19H23ClN2O2S — CID 39746579

IUPAC1-[2-(benzenesulfonyl)ethyl]-4-[(3-chlorophenyl)methyl]piperazine
SMILESO=S(=O)(CCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C19H23ClN2O2S/c20-18-6-4-5-17(15-18)16-22-11-9-21(10-12-22)13-14-25(23,24)19-7-2-1-3-8-19/h1-8,15H,9-14,16H2
InChIKeyUWFOLSGUXNKHOI-UHFFFAOYSA-N
MW378.92 g/mol
LogP2.93
Rot. Bonds6

About 1-[2-(benzenesulfonyl)ethyl]-4-[(3-chlorophenyl)methyl]piperazine

1-[2-(benzenesulfonyl)ethyl]-4-[(3-chlorophenyl)methyl]piperazine (PubChem CID 39746579) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.92 g/mol. Its IUPAC name is 1-[2-(benzenesulfonyl)ethyl]-4-[(3-chlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[2-(benzenesulfonyl)ethyl]-4-[(3-chlorophenyl)methyl]piperazine
PubChem CID39746579
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.92 g/mol
Exact Mass378.12
IUPAC Name1-[2-(benzenesulfonyl)ethyl]-4-[(3-chlorophenyl)methyl]piperazine
SMILESO=S(=O)(CCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C19H23ClN2O2S/c20-18-6-4-5-17(15-18)16-22-11-9-21(10-12-22)13-14-25(23,24)19-7-2-1-3-8-19/h1-8,15H,9-14,16H2
InChIKeyUWFOLSGUXNKHOI-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

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Related Compounds

1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine
CID 1364863
1-(2-bromoethyl)-4-[(3-chlorophenyl)methyl]piperazine
CID 80675337
1-benzyl-4-(2-methylsulfonylethyl)piperazine
CID 78787270
1-[(3-chlorophenyl)methyl]-4-methylpiperazine;oxalic acid
CID 45156065
1-[(3-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 9391386
1-[2-(benzenesulfonyl)ethyl]pyrrolidine;hydrochloride
CID 117068077
1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperazine;oxalic acid
CID 2874542
(2S)-1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]-2-methylpiperazine
CID 175257353
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine
CID 17378936

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonyl)ethyl]-4-[(3-chlorophenyl)methyl]piperazine?
The IUPAC name of 1-[2-(benzenesulfonyl)ethyl]-4-[(3-chlorophenyl)methyl]piperazine (CID 39746579) is 1-[2-(benzenesulfonyl)ethyl]-4-[(3-chlorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[2-(benzenesulfonyl)ethyl]-4-[(3-chlorophenyl)methyl]piperazine?
The canonical SMILES for 1-[2-(benzenesulfonyl)ethyl]-4-[(3-chlorophenyl)methyl]piperazine is O=S(=O)(CCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1.
What is the InChIKey of 1-[2-(benzenesulfonyl)ethyl]-4-[(3-chlorophenyl)methyl]piperazine?
The InChIKey is UWFOLSGUXNKHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c20-18-6-4-5-17(15-18)16-22-11-9-21(10-12-22)13-14-25(23,24)19-7-2-1-3-8-19/h1-8,15H,9-14,16H2.
What are the key properties of 1-[2-(benzenesulfonyl)ethyl]-4-[(3-chlorophenyl)methyl]piperazine?
1-[2-(benzenesulfonyl)ethyl]-4-[(3-chlorophenyl)methyl]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-[2-(benzenesulfonyl)ethyl]-4-[(3-chlorophenyl)methyl]piperazine is sourced from PubChem (CID 39746579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).