Benzoic acid, 5-propoxy-2-sulfamoyl-, isopropyl ester
Basic information
- CAS
74131-22-9- Standard SMILES
CCCOc1ccc(S(N)(=O)=O)c(C(=O)OC(C)C)c1- InChIKey
PIYLCWHQANKVGD-UHFFFAOYSA-N- Molecular formula
- C13H19NO5S
- Average molar mass
- 301.36 g/mol
- Monoisotopic mass
- 301.09839388
Names & identifiers
- Preferred name
- Benzoic acid, 5-propoxy-2-sulfamoyl-, isopropyl ester
- IUPAC
- propan-2-yl 5-propoxy-2-sulfamoylbenzoate
Names & synonyms
BRN 5069510Isopropyl 5-propoxy-2-sulfamoylbenzoateBENZOIC ACID, 5-PROPOXY-2-SULFAMOYL-, ISOPROPYL ESTER74131-22-9DTXSID80225092RefChem:327699DTXCID80147583propan-2-yl 5-propoxy-2-sulfamoylbenzoate
Database identifiers
- CAS
74131-22-9- PubChem CID
- 52935
- DTXSID
DTXSID80225092- Nikkaji
- J83.503J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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