N-(Chloroacetyl)-N-(4-methylbenzene-1-sulfonyl)phenylalanine
Basic information
- CAS
102516-65-4- Standard SMILES
Cc1ccc(S(=O)(=O)N(C(=O)CCl)C(Cc2ccccc2)C(=O)O)cc1- InChIKey
FQGPFIVHBQIVKG-UHFFFAOYSA-N- Molecular formula
- C18H18ClNO5S
- Average molar mass
- 395.9 g/mol
- Monoisotopic mass
- 395.05942136
Names & identifiers
- Preferred name
- N-(Chloroacetyl)-N-(4-methylbenzene-1-sulfonyl)phenylalanine
- IUPAC
- 2-[(2-chloroacetyl)-(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
Names & synonyms
DTXSID20907663N-(Chloroacetyl)-N-(4-methylbenzene-1-sulfonyl)phenylalanine
Database identifiers
- CAS
102516-65-4- PubChem CID
- 59427
- DTXSID
DTXSID20907663
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 589
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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