1-(2,3-dichlorophenyl)-4-(4-methylsulfonylphenyl)piperazine

C17H18Cl2N2O2S — CID 171690872

IUPAC1-(2,3-dichlorophenyl)-4-(4-methylsulfonylphenyl)piperazine
SMILESCS(=O)(=O)c1ccc(N2CCN(c3cccc(Cl)c3Cl)CC2)cc1
InChIInChI=1S/C17H18Cl2N2O2S/c1-24(22,23)14-7-5-13(6-8-14)20-9-11-21(12-10-20)16-4-2-3-15(18)17(16)19/h2-8H,9-12H2,1H3
InChIKeyYYZPDMIREPJNAW-UHFFFAOYSA-N
MW385.32 g/mol
LogP3.72
Rot. Bonds3

About 1-(2,3-dichlorophenyl)-4-(4-methylsulfonylphenyl)piperazine

1-(2,3-dichlorophenyl)-4-(4-methylsulfonylphenyl)piperazine (PubChem CID 171690872) has the molecular formula C17H18Cl2N2O2S and a molecular weight of 385.32 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-4-(4-methylsulfonylphenyl)piperazine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-4-(4-methylsulfonylphenyl)piperazine
PubChem CID171690872
Molecular FormulaC17H18Cl2N2O2S
Molecular Weight385.32 g/mol
Exact Mass384.05
IUPAC Name1-(2,3-dichlorophenyl)-4-(4-methylsulfonylphenyl)piperazine
SMILESCS(=O)(=O)c1ccc(N2CCN(c3cccc(Cl)c3Cl)CC2)cc1
InChIInChI=1S/C17H18Cl2N2O2S/c1-24(22,23)14-7-5-13(6-8-14)20-9-11-21(12-10-20)16-4-2-3-15(18)17(16)19/h2-8H,9-12H2,1H3
InChIKeyYYZPDMIREPJNAW-UHFFFAOYSA-N
XLogP3.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-4-fluorophenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 133451832
1-(3-methylphenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 171998032
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 16645607
1-(3,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 133451865
1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine
CID 91670186
1-(2,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 163357220
4-(4-methylsulfonylphenyl)piperazine-1-carbaldehyde
CID 142680659
4-(4-methylsulfonylphenyl)piperazine-1-carboxylic acid
CID 141113101
1-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperazine
CID 141118596
methyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate
CID 113080518
cis-(1R,2S)-2-[[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 6958190
1-(3-chloro-2-methylphenyl)-4-(4-iodophenyl)sulfonylpiperazine
CID 91670020

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-4-(4-methylsulfonylphenyl)piperazine?
The IUPAC name of 1-(2,3-dichlorophenyl)-4-(4-methylsulfonylphenyl)piperazine (CID 171690872) is 1-(2,3-dichlorophenyl)-4-(4-methylsulfonylphenyl)piperazine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-4-(4-methylsulfonylphenyl)piperazine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-4-(4-methylsulfonylphenyl)piperazine is CS(=O)(=O)c1ccc(N2CCN(c3cccc(Cl)c3Cl)CC2)cc1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-4-(4-methylsulfonylphenyl)piperazine?
The InChIKey is YYZPDMIREPJNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2S/c1-24(22,23)14-7-5-13(6-8-14)20-9-11-21(12-10-20)16-4-2-3-15(18)17(16)19/h2-8H,9-12H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-4-(4-methylsulfonylphenyl)piperazine?
1-(2,3-dichlorophenyl)-4-(4-methylsulfonylphenyl)piperazine has a molecular weight of 385.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-4-(4-methylsulfonylphenyl)piperazine is sourced from PubChem (CID 171690872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).