Basic information
- CAS
91642-71-6- Standard SMILES
CCCCNS(=O)(=O)c1cc(C(=O)O)cc(C(=O)O)c1- InChIKey
PSUXUHBQSMBANN-UHFFFAOYSA-N- Molecular formula
- C12H15NO6S
- Average molar mass
- 301.32 g/mol
- Monoisotopic mass
- 301.06200837
Names & identifiers
- Preferred name
- 5-(Butylsulfamoyl)benzene-1,3-dicarboxylic acid
- IUPAC
- 5-(butylsulfamoyl)benzene-1,3-dicarboxylic acid
Names & synonyms
91642-71-65-(butylsulfamoyl)benzene-1,3-dicarboxylic acidNSC85662DTXSID20292809NSC-85662
Database identifiers
- CAS
91642-71-6- PubChem CID
- 257555
- DTXSID
DTXSID20292809
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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