Basic information
- Standard SMILES
CCCc1ccc(S(=O)(=O)NC(C)(C)C)c(B(O)O)c1- InChIKey
KVUSZAWWLBAEFV-UHFFFAOYSA-N- Molecular formula
- C13H22BNO4S
- Average molar mass
- 299.2 g/mol
Names & identifiers
- Preferred name
- (2-(N-(tert-Butyl)sulfamoyl)-5-propylphenyl)boronic acid
- IUPAC
- [2-(tert-butylsulfamoyl)-5-propylphenyl]boronic acid
Names & synonyms
146948-96-1(2-(N-(tert-Butyl)sulfamoyl)-5-propylphenyl)boronic acidSCHEMBL9144322KVUSZAWWLBAEFV-UHFFFAOYSA-N2-(N-t-Butylsulfamoyl)-5-n-propylphenylboronic acid
Database identifiers
- PubChem CID
- 19939476
Properties
Computed structural properties
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 400
Related reactions
7 records
Compound notes
Loading…