Benzoic acid, 5-butoxy-2-sulfamoyl-, methyl ester
Basic information
- CAS
70017-17-3- Standard SMILES
CCCCOc1ccc(S(N)(=O)=O)c(C(=O)OC)c1- InChIKey
DOMSABUTJZLUMV-UHFFFAOYSA-N- Molecular formula
- C12H17NO5S
- Average molar mass
- 287.33 g/mol
- Monoisotopic mass
- 287.08274382
Names & identifiers
- Preferred name
- Benzoic acid, 5-butoxy-2-sulfamoyl-, methyl ester
- IUPAC
- methyl 5-butoxy-2-sulfamoylbenzoate
Names & synonyms
5-Butoxy-2-sulfamoylbenzoic acid methyl esterBENZOIC ACID, 5-BUTOXY-2-SULFAMOYL-, METHYL ESTERBRN 298972370017-17-3DTXSID60220282RefChem:327676DTXCID60142773methyl 5-butoxy-2-sulfamoylbenzoate
Database identifiers
- CAS
70017-17-3- PubChem CID
- 50947
- DTXSID
DTXSID60220282- Nikkaji
- J73.902B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…