Benzoic acid, 5-pentyloxy-2-sulfamoyl-, methyl ester
Basic information
- CAS
70017-18-4- Standard SMILES
CCCCCOc1ccc(S(N)(=O)=O)c(C(=O)OC)c1- InChIKey
ZBVIDDAHIBKCLB-UHFFFAOYSA-N- Molecular formula
- C13H19NO5S
- Average molar mass
- 301.36 g/mol
- Monoisotopic mass
- 301.09839388
Names & identifiers
- Preferred name
- Benzoic acid, 5-pentyloxy-2-sulfamoyl-, methyl ester
- IUPAC
- methyl 5-pentoxy-2-sulfamoylbenzoate
Names & synonyms
5-Pentyloxy-2-sulfamoylbenzoic acid methyl esterBENZOIC ACID, 5-PENTYLOXY-2-SULFAMOYL-, METHYL ESTERBRN 299094770017-18-4DTXSID20220283RefChem:327698DTXCID20142774methyl 5-(pentyloxy)-2-sulfamoylbenzoate
Database identifiers
- CAS
70017-18-4- PubChem CID
- 50948
- DTXSID
DTXSID20220283- Nikkaji
- J83.482C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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