Basic information
- CAS
524711-16-8- Standard SMILES
COc1ccc(S(=O)(=O)N2CCNCC2)c(OC)c1- InChIKey
TXBHACAUJSKLJQ-UHFFFAOYSA-N- Molecular formula
- C12H18N2O4S
- Average molar mass
- 286.35 g/mol
Names & identifiers
- Preferred name
- 1-((2,4-Dimethoxyphenyl)sulfonyl)piperazine
- IUPAC
- 1-(2,4-dimethoxyphenyl)sulfonylpiperazine
- English name
- 1-(2,4-Dimethoxy-benzenesulfonyl)-piperazine
- Molecular formula
- C12H18N2O4S
- Molecular weight
- 286.35
Names & synonyms
524711-16-81-((2,4-Dimethoxyphenyl)sulfonyl)piperazineOprea1_304278SCHEMBL11508985TXBHACAUJSKLJQ-UHFFFAOYSA-NAKOS0035875271-[(2,4-dimethoxyphenyl)-sulfonyl]piperazineAKOS BB-55981-(2,4-Dimethoxy-benzenesulfonyl)-piperazinePiperazine, 1-[(2,4-dimethoxyphenyl)sulfonyl]-
Database identifiers
- CAS
524711-16-8
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 76.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- Boiling point
- 456.8 · 456.8±55.0 °C(Predicted)
- Density
- 1.251 · 1.251±0.06 g/cm3(Predicted)
- pka
- 7.69 · 7.69±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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