1-(3-Chloro-2-methylphenyl)-4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine
Basic information
- CAS
825608-52-4- Standard SMILES
CCOc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c2ccccc12- InChIKey
XVLIOJKXILHWDE-UHFFFAOYSA-N- Molecular formula
- C23H25ClN2O3S
- Average molar mass
- 445 g/mol
Names & identifiers
- Preferred name
- 1-(3-Chloro-2-methylphenyl)-4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine
- IUPAC
- 1-(3-chloro-2-methylphenyl)-4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine
- English name
- 4-{[4-(3-chloro-2-methylphenyl)-1-piperazinyl]sulfonyl}-1-naphthyl ethyl ether
- Molecular formula
- C23H25ClN2O3S
- Molecular weight
- 444.97
Names & synonyms
1-(3-chloro-2-methylphenyl)-4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine825608-52-41-(3-chloro-2-methylphenyl)-4-[(4-ethoxynaphthalen-1-yl)sulfonyl]piperazineAKOS025118163AP-263/43028089Z21067448844-{[4-(3-chloro-2-methylphenyl)-1-piperazinyl]sulfonyl}-1-naphthyl ethyl etherPiperazine, 1-(3-chloro-2-methylphenyl)-4-[(4-ethoxy-1-naphthalenyl)sulfonyl]-
Database identifiers
- CAS
825608-52-4
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 662
Physicochemical properties
- Boiling point
- 628.9 · 628.9±65.0 °C(Predicted)
- Density
- 1.297 · 1.297±0.06 g/cm3(Predicted)
- pka
- 4.21 · 4.21±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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