1-(2,6-dichlorophenyl)-4-(2-phenylethylsulfonyl)piperazine

C18H20Cl2N2O2S — CID 113080466

IUPAC1-(2,6-dichlorophenyl)-4-(2-phenylethylsulfonyl)piperazine
SMILESO=S(=O)(CCc1ccccc1)N1CCN(c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C18H20Cl2N2O2S/c19-16-7-4-8-17(20)18(16)21-10-12-22(13-11-21)25(23,24)14-9-15-5-2-1-3-6-15/h1-8H,9-14H2
InChIKeyPJMKIECKICRVSL-UHFFFAOYSA-N
MW399.34 g/mol
LogP3.69
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-4-(2-phenylethylsulfonyl)piperazine

1-(2,6-dichlorophenyl)-4-(2-phenylethylsulfonyl)piperazine (PubChem CID 113080466) has the molecular formula C18H20Cl2N2O2S and a molecular weight of 399.34 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-4-(2-phenylethylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-4-(2-phenylethylsulfonyl)piperazine
PubChem CID113080466
Molecular FormulaC18H20Cl2N2O2S
Molecular Weight399.34 g/mol
Exact Mass398.06
IUPAC Name1-(2,6-dichlorophenyl)-4-(2-phenylethylsulfonyl)piperazine
SMILESO=S(=O)(CCc1ccccc1)N1CCN(c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C18H20Cl2N2O2S/c19-16-7-4-8-17(20)18(16)21-10-12-22(13-11-21)25(23,24)14-9-15-5-2-1-3-6-15/h1-8H,9-14H2
InChIKeyPJMKIECKICRVSL-UHFFFAOYSA-N
XLogP3.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dichlorophenyl)-4-propylsulfonylpiperazine
CID 113080453
1-[(4-methylphenyl)methyl]-4-(2-phenylethylsulfonyl)piperazine
CID 110398775
1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine
CID 110819016
1-benzyl-4-(3-phenylpropylsulfonyl)piperazine
CID 113073931
1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959095
(4-chlorophenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone
CID 110394334
1-pentyl-4-(2-phenylethylsulfonyl)piperazine
CID 113075151
methyl 4-(2-phenylethylsulfonyl)piperazine-1-carboxylate
CID 110818523
6-[4-(2-phenylethylsulfonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110645087
1-(2-chlorophenyl)-4-(2-phenoxyethylsulfonyl)piperazine
CID 56764843
1-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 27377700
N-tert-butyl-4-(2-phenylethylsulfonyl)piperazine-1-carboxamide
CID 110811178

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-4-(2-phenylethylsulfonyl)piperazine?
The IUPAC name of 1-(2,6-dichlorophenyl)-4-(2-phenylethylsulfonyl)piperazine (CID 113080466) is 1-(2,6-dichlorophenyl)-4-(2-phenylethylsulfonyl)piperazine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-4-(2-phenylethylsulfonyl)piperazine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-4-(2-phenylethylsulfonyl)piperazine is O=S(=O)(CCc1ccccc1)N1CCN(c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-4-(2-phenylethylsulfonyl)piperazine?
The InChIKey is PJMKIECKICRVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2S/c19-16-7-4-8-17(20)18(16)21-10-12-22(13-11-21)25(23,24)14-9-15-5-2-1-3-6-15/h1-8H,9-14H2.
What are the key properties of 1-(2,6-dichlorophenyl)-4-(2-phenylethylsulfonyl)piperazine?
1-(2,6-dichlorophenyl)-4-(2-phenylethylsulfonyl)piperazine has a molecular weight of 399.34 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-4-(2-phenylethylsulfonyl)piperazine is sourced from PubChem (CID 113080466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).