Basic information
- Standard SMILES
CCN(CC)S(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2- InChIKey
CJPGSUPNJOCTCY-UHFFFAOYSA-N- Molecular formula
- C13H17NO6S
- Average molar mass
- 315.34 g/mol
Names & identifiers
- Preferred name
- 7-Diethylsulfamoyl-1,4-benzodioxane-5-carboxylic acid
- IUPAC
- 7-(diethylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
Names & synonyms
SCHEMBL11266948CJPGSUPNJOCTCY-UHFFFAOYSA-N7-diethylsulfamoyl-1,4-benzodioxane-5-carboxylic acid
Database identifiers
- PubChem CID
- 20544715
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 470
Related reactions
7 records
Compound notes
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