1-(2,5-Dimethoxyphenyl)sulfonyl-2-ethylimidazole
Basic information
- CAS
352444-74-7- Standard SMILES
CCc1nccn1S(=O)(=O)c1cc(OC)ccc1OC- InChIKey
IMSLDUZXRQTEII-UHFFFAOYSA-N- Molecular formula
- C13H16N2O4S
- Average molar mass
- 296.34 g/mol
- Monoisotopic mass
- 296.08307817
Names & identifiers
- Preferred name
- 1-(2,5-Dimethoxyphenyl)sulfonyl-2-ethylimidazole
- IUPAC
- 1-(2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole
Names & synonyms
352444-74-71-(2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole1-[(2,5-dimethoxyphenyl)sulfonyl]-2-ethyl-1H-imidazoleZINC2973981-(2,5-dimethoxybenzenesulfonyl)-2-ethyl-1H-imidazoleZINC00297398Oprea1_302061Oprea1_318532MLS0012080851-(2,5-Dimethoxy-benzenesulfonyl)-2-ethyl-1H-imidazoleCHEMBL1589237DTXSID301323347
Show more names
MFCD01116413STK083795AKOS000595204COc1ccc(cc1S(=O)(=O)n1ccnc1CC)OCSMR000515010ZINC0000002973981(25DIMETHOXYPHENYL)SULFONYL2ETHYLIMIDAZOLEAG-690/11669152
Database identifiers
- CAS
352444-74-7- PubChem CID
- 794493
- DTXSID
DTXSID301323347- ChEMBL
CHEMBL1589237
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 409
Experimental & physicochemical properties
Solubility32.9 [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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