1-(2-Methoxy-5-methylphenyl)sulfonylazepane
Basic information
- CAS
325991-89-7- Standard SMILES
COc1ccc(C)cc1S(=O)(=O)N1CCCCCC1- InChIKey
RXSJOLXGIDFDQP-UHFFFAOYSA-N- Molecular formula
- C14H21NO3S
- Average molar mass
- 283.39 g/mol
- Monoisotopic mass
- 283.12421471
Names & identifiers
- Preferred name
- 1-(2-Methoxy-5-methylphenyl)sulfonylazepane
- IUPAC
- 1-(2-methoxy-5-methylphenyl)sulfonylazepane
Names & synonyms
1-(2-methoxy-5-methylphenyl)sulfonylazepane325991-89-72-(1-azepanylsulfonyl)-4-methylphenyl methyl ether1-(2-methoxy-5-methylbenzenesulfonyl)azepaneOprea1_239508Oprea1_872895MLS000856636CHEMBL1606997DTXSID501332277HMS2751K03AKOS000597714SMR000274993
Show more names
ST0659531-(2-Methoxy-5-methylbenzene-1-sulfonyl)azepaneAG-205/13381087[(2-methoxy-5-methylphenyl)sulfonyl]azaperhydroepineZ57642942
Database identifiers
- CAS
325991-89-7- PubChem CID
- 775522
- DTXSID
DTXSID501332277- ChEMBL
CHEMBL1606997
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 369
Experimental & physicochemical properties
Solubility40.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…