Benzoic acid, 5-isopentyloxy-2-sulfamoyl-, methyl ester
Basic information
- CAS
70017-21-9- Standard SMILES
COC(=O)c1cc(OCCC(C)C)ccc1S(N)(=O)=O- InChIKey
FHVNYUHDARYVDK-UHFFFAOYSA-N- Molecular formula
- C13H19NO5S
- Average molar mass
- 301.36 g/mol
- Monoisotopic mass
- 301.09839388
Names & identifiers
- Preferred name
- Benzoic acid, 5-isopentyloxy-2-sulfamoyl-, methyl ester
- IUPAC
- methyl 5-(3-methylbutoxy)-2-sulfamoylbenzoate
Names & synonyms
5-Isopentyloxy-2-sulfamoylbenzoic acid methyl esterBRN 2990946BENZOIC ACID, 5-ISOPENTYLOXY-2-SULFAMOYL-, METHYL ESTER70017-21-9DTXSID00220286RefChem:327689DTXCID00142777methyl 5-(3-methylbutoxy)-2-sulfamoylbenzoate
Database identifiers
- CAS
70017-21-9- PubChem CID
- 50950
- DTXSID
DTXSID00220286- Nikkaji
- J83.434C
Properties
Computed structural properties
- XLogP
- 2.6
- 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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