Basic information
- CAS
74131-19-4- Standard SMILES
COc1ccc(S(=O)(=O)N(C)C)c(C(=O)OC(C)C)c1- InChIKey
LMGFDHCJAWVYOC-UHFFFAOYSA-N- Molecular formula
- C13H19NO5S
- Average molar mass
- 301.36 g/mol
- Monoisotopic mass
- 301.09839388
Names & identifiers
- Preferred name
- Benzoic acid, 2-(dimethylsulfamoyl)-5-methoxy-, isopropyl ester
- IUPAC
- propan-2-yl 2-(dimethylsulfamoyl)-5-methoxybenzoate
Names & synonyms
BRN 5081441BENZOIC ACID, 2-(DIMETHYLSULFAMOYL)-5-METHOXY-, ISOPROPYL ESTERIsopropyl 5-methoxy-2-(dimethylsulfamoyl)benzoate74131-19-4DTXSID50225089RefChem:326802DTXCID00147580propan-2-yl 2-(dimethylsulfamoyl)-5-methoxybenzoate
Database identifiers
- CAS
74131-19-4- PubChem CID
- 52933
- DTXSID
DTXSID50225089- Nikkaji
- J83.377K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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