1-(3-Butoxy-4-chlorobenzenesulfonyl)-4-phenylpiperazine
Basic information
- CAS
913241-19-7- Standard SMILES
CCCCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl- InChIKey
IZGSZXZZJOUIAL-UHFFFAOYSA-N- Molecular formula
- C20H25ClN2O3S
- Average molar mass
- 408.9 g/mol
- Monoisotopic mass
- 408.1274415
Names & identifiers
- Preferred name
- 1-(3-Butoxy-4-chlorobenzenesulfonyl)-4-phenylpiperazine
- IUPAC
- 1-(3-butoxy-4-chlorophenyl)sulfonyl-4-phenylpiperazine
- English name
- butyl 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl ether
- Molecular formula
- C20H25ClN2O3S
- Molecular weight
- 408.94
Names & synonyms
AKOS026669879AP-263/433707261-(3-butoxy-4-chlorobenzenesulfonyl)-4-phenylpiperazine1-(3-butoxy-4-chlorophenyl)sulfonyl-4-phenylpiperazineZ2572916527butyl 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl etherPiperazine, 1-[(3-butoxy-4-chlorophenyl)sulfonyl]-4-phenyl-
Database identifiers
- CAS
913241-19-7- PubChem CID
- 16044465
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 540
Physicochemical properties
- Boiling point
- 556.5 · 556.5±60.0 °C(Predicted)
- Density
- 1.256 · 1.256±0.06 g/cm3(Predicted)
- pka
- 4.79 · 4.79±0.40(Predicted)
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Compound notes
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