1-(2,3-Dimethylphenyl)-4-(5-fluoro-2-methoxybenzenesulfonyl)piperazine
Basic information
- CAS
825609-25-4- Standard SMILES
COc1ccc(F)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1- InChIKey
LMCJROWTGKKLFH-UHFFFAOYSA-N- Molecular formula
- C19H23FN2O3S
- Average molar mass
- 378.5 g/mol
- Monoisotopic mass
- 378.14134194
Names & identifiers
- Preferred name
- 1-(2,3-Dimethylphenyl)-4-(5-fluoro-2-methoxybenzenesulfonyl)piperazine
- IUPAC
- 1-(2,3-dimethylphenyl)-4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazine
- English name
- 1-(2,3-dimethylphenyl)-4-[(5-fluoro-2-methoxyphenyl)sulfonyl]piperazine
- Molecular formula
- C19H23FN2O3S
- Molecular weight
- 378.46
Names & synonyms
825609-25-41-(2,3-dimethylphenyl)-4-(5-fluoro-2-methoxybenzenesulfonyl)piperazine1-(2,3-dimethylphenyl)-4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazineAKOS001415015UPCMLD0ENAT5942665:001ST50779399AP-263/43241475SR-01000297691SR-01000297691-1Z2832812381-(2,3-dimethylphenyl)-4-[(5-fluoro-2-methoxyphenyl)sulfonyl]piperazine2-{[4-(2,3-dimethylphenyl)piperazinyl]sulfonyl}-4-fluoro-1-methoxybenzene
Show more names
Piperazine, 1-(2,3-dimethylphenyl)-4-[(5-fluoro-2-methoxyphenyl)sulfonyl]-
Database identifiers
- CAS
825609-25-4- PubChem CID
- 1256149
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 560
Physicochemical properties
- Boiling point
- 551.9 · 551.9±60.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- pka
- 5.49 · 5.49±0.40(Predicted)
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Compound notes
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