Basic information
- CAS
851798-63-5- Standard SMILES
CCOC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1- InChIKey
GOOWYGSCBHPNGY-UHFFFAOYSA-N- Molecular formula
- C12H15NO4S
- Average molar mass
- 269.32 g/mol
- Monoisotopic mass
- 269.07217913
Names & identifiers
- Preferred name
- Ethyl 4-(cyclopropylsulfamoyl)benzoate
- IUPAC
- ethyl 4-(cyclopropylsulfamoyl)benzoate
Names & synonyms
ethyl 4-(cyclopropylsulfamoyl)benzoateMLS001233842CHEMBL1865999DTXSID701332904HMS2896G13AKOS008940752851798-63-5SMR000589493Z45534921
Database identifiers
- CAS
851798-63-5- PubChem CID
- 4884085
- DTXSID
DTXSID701332904- ChEMBL
CHEMBL1865999
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 389
Experimental & physicochemical properties
Solubility32.4 [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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