Basic information
- Standard SMILES
CCCCC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)O- InChIKey
RQIMAGFPXXIMHS-UHFFFAOYSA-N- Molecular formula
- C12H16BrNO4S
- Average molar mass
- 350.23 g/mol
- Monoisotopic mass
- 348.99834
Names & identifiers
- Preferred name
- N-[(4-bromophenyl)sulfonyl]norleucine
- IUPAC
- 2-[(4-bromophenyl)sulfonylamino]hexanoic acid
Names & synonyms
N-[(4-bromophenyl)sulfonyl]norleucine2-(4-BROMOBENZENESULFONAMIDO)HEXANOIC ACIDSCHEMBL8839412CHEMBL5307360RQIMAGFPXXIMHS-UHFFFAOYSA-NAKOS002384821AKOS016379702AB00114043-01(RS)-2-(4-bromobenzenesulfonylamino)hexanoic acidAS-871/40882029SR-01000480167SR-01000480167-1
Database identifiers
- PubChem CID
- 2908181
- ChEMBL
CHEMBL5307360
Properties
Computed structural properties
- XLogP
- 3
- 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
- 385
Related reactions
4 records
Compound notes
Loading…