Benzoic acid, 5-propoxy-2-sulfamoyl-, methyl ester
Basic information
- CAS
70017-16-2- Standard SMILES
CCCOc1ccc(S(N)(=O)=O)c(C(=O)OC)c1- InChIKey
SBGVZNIQADUCSB-UHFFFAOYSA-N- Molecular formula
- C11H15NO5S
- Average molar mass
- 273.31 g/mol
- Monoisotopic mass
- 273.06709375
Names & identifiers
- Preferred name
- Benzoic acid, 5-propoxy-2-sulfamoyl-, methyl ester
- IUPAC
- methyl 5-propoxy-2-sulfamoylbenzoate
Names & synonyms
5-Propoxy-2-sulfamidobenzoic acid methyl esterBENZOIC ACID, 5-PROPOXY-2-SULFAMOYL-, METHYL ESTERBRN 298587070017-16-2DTXSID00220281RefChem:327700DTXCID00142772methyl 5-propoxy-2-sulfamoylbenzoate
Database identifiers
- CAS
70017-16-2- PubChem CID
- 50946
- DTXSID
DTXSID00220281- Nikkaji
- J83.504H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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