Basic information
- Standard SMILES
CCOC(=O)Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1- InChIKey
DHVLEUPHIBFAJP-UHFFFAOYSA-N- Molecular formula
- C14H16N2O4S
- Average molar mass
- 308.35 g/mol
Names & identifiers
- Preferred name
- ethyl [1-(toluene-4-sulfonyl)-1H-imidazol-4-yl]-acetate
- IUPAC
- ethyl 2-[1-(4-methylphenyl)sulfonylimidazol-4-yl]acetate
Names & synonyms
DHVLEUPHIBFAJP-UHFFFAOYSA-Nethyl [1-(toluene-4-sulfonyl)-1H-imidazol-4-yl]-acetate
Database identifiers
- PubChem CID
- 86623936
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 452
Related reactions
2 records
Compound notes
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