4-(2-Ethylbutylsulfonylamino)benzoic acid
Basic information
- CAS
6966-42-3- Standard SMILES
CCC(CC)CS(=O)(=O)Nc1ccc(C(=O)O)cc1- InChIKey
OKILFNLHJKFKJT-UHFFFAOYSA-N- Molecular formula
- C13H19NO4S
- Average molar mass
- 285.36 g/mol
- Monoisotopic mass
- 285.10347926
Names & identifiers
- Preferred name
- 4-(2-Ethylbutylsulfonylamino)benzoic acid
- IUPAC
- 4-(2-ethylbutylsulfonylamino)benzoic acid
Names & synonyms
6966-42-34-(2-ethylbutylsulfonylamino)benzoic acidNSC18783DTXSID50989790NSC-187834-(2-Ethylbutane-1-sulfonamido)benzoic acid4-[(2-Ethylbutane-1-sulfonyl)amino]benzoic acid
Database identifiers
- CAS
6966-42-3- PubChem CID
- 227300
- DTXSID
DTXSID50989790
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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