Basic information
- Standard SMILES
CCc1ccc(CS(=O)(=O)c2ccccc2)c(C(=O)OC)c1-c1ccnn1C- InChIKey
GXZZWVXZOQKVDY-UHFFFAOYSA-N- Molecular formula
- C21H22N2O4S
- Average molar mass
- 398.5 g/mol
Names & identifiers
- Preferred name
- Methyl 6-(benzenesulphonylmethyl)-3-ethyl-2-(2-methyl-2H-pyrazol-3-yl)benzoate
- IUPAC
- methyl 6-(benzenesulfonylmethyl)-3-ethyl-2-(2-methylpyrazol-3-yl)benzoate
Names & synonyms
SCHEMBL1646861GXZZWVXZOQKVDY-UHFFFAOYSA-NMethyl 6-(benzenesulphonylmethyl)-3-ethyl-2-(2-methyl-2H-pyrazol-3-yl)benzoate
Database identifiers
- PubChem CID
- 67106935
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 627
Related reactions
1 records
Compound notes
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