Basic information
- CAS
146815-24-9- Standard SMILES
O=C(Cl)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1- InChIKey
NGWWIXAEIDNLQQ-AWEZNQCLSA-N- Molecular formula
- C15H13BrClNO3S
- Average molar mass
- 402.7 g/mol
- Monoisotopic mass
- 400.9488
Names & identifiers
- Preferred name
- N-(4-Bromobenzene-1-sulfonyl)-L-phenylalanyl chloride
- IUPAC
- (2S)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanoyl chloride
Names & synonyms
DTXSID501160521N-(4-Bromobenzene-1-sulfonyl)-L-phenylalanyl chlorideBenzenepropanoyl chloride, I+/--[[(4-bromophenyl)sulfonyl]amino]-, (S)-146815-24-9
Database identifiers
- CAS
146815-24-9- PubChem CID
- 165345331
- DTXSID
DTXSID501160521
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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