Basic information
- Standard SMILES
CC(=O)c1ccc(S(=O)(=O)NC(C)(C)C(=O)O)cc1- InChIKey
HSGBYRPZXSGVSM-UHFFFAOYSA-N- Molecular formula
- C12H15NO5S
- Average molar mass
- 285.32 g/mol
Names & identifiers
- Preferred name
- 2-(4-Acetylphenylsulfonamido)-2-methylpropionic acid
- IUPAC
- 2-[(4-acetylphenyl)sulfonylamino]-2-methylpropanoic acid
Names & synonyms
SCHEMBL5564217HSGBYRPZXSGVSM-UHFFFAOYSA-NAKOS0105149242-(4-acetylphenylsulfonamido)-2-methylpropionic acid
Database identifiers
- PubChem CID
- 21082508
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 455
Related reactions
3 records
Linked notes
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