Basic information
- CAS
713096-74-3- Standard SMILES
CCOc1cc(C)c(S(=O)(=O)N2CCCCC2)cc1C- InChIKey
NEJFQZSQWIGLCC-UHFFFAOYSA-N- Molecular formula
- C15H23NO3S
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.13986477
Names & identifiers
- Preferred name
- 1-(4-Ethoxy-2,5-dimethylphenyl)sulfonylpiperidine
- IUPAC
- 1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperidine
Names & synonyms
713096-74-31-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperidine1-(4-ETHOXY-2,5-DIMETHYLBENZENESULFONYL)PIPERIDINE[(4-ethoxy-2,5-dimethylphenyl)sulfonyl]piperidine1-((4-ethoxy-2,5-dimethylphenyl)sulfonyl)piperidine1-[(4-ethoxy-2,5-dimethylphenyl)sulfonyl]piperidineMLS000693795CHEMBL1465594SCHEMBL17175820DTXSID701332273HMS2682P17AKOS001286523
Show more names
SMR000299709ST50102571VU0304046-2AP-263/41946519SR-01000268723SR-01000268723-1Z577049591-(4-Ethoxy-2,5-dimethylbenzene-1-sulfonyl)piperidine
Database identifiers
- CAS
713096-74-3- PubChem CID
- 899243
- DTXSID
DTXSID701332273- ChEMBL
CHEMBL1465594
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 398
Experimental & physicochemical properties
Solubility14.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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