Basic information
- Standard SMILES
CC(C)(C)c1cc(NC(=O)C(C)(CCO)S(=O)(=O)c2ccc(Cl)cc2)no1- InChIKey
DGIMOCSDAYOFKL-UHFFFAOYSA-N- Molecular formula
- C18H23ClN2O5S
- Average molar mass
- 414.9 g/mol
Names & identifiers
- Preferred name
- N-(5-tert-butyl-isoxazol-3-yl)-2-(4-chlorobenzenesulfonyl)-4-hydroxy-2-methyl-butyramide
- IUPAC
- N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-chlorophenyl)sulfonyl-4-hydroxy-2-methylbutanamide
Names & synonyms
SCHEMBL1788099DGIMOCSDAYOFKL-UHFFFAOYSA-NN-(5-tert-Butyl-isoxazol-3-yl)-2-(4-chloro-benzenesulfonyl)-4-hydroxy-2-methyl-butyramideN-(5-tert-butyl-isoxazol-3-yl)-2-(4-chlorobenzenesulfonyl)-4-hydroxy-2-methyl-butyramide
Database identifiers
- PubChem CID
- 58280577
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 623
Related reactions
4 records
Linked notes
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