tert-butyl (2R)-2-{[(4-chlorophenyl)sulfonyl]amino}propanoate
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Basic information
- Standard SMILES
C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OC(C)(C)C- InChIKey
RIJZCYIUHRTXJS-SECBINFHSA-N- Molecular formula
- C13H18ClNO4S
- Average molar mass
- 319.8 g/mol
- Monoisotopic mass
- 319.0645069
Names & identifiers
- Preferred name
- tert-butyl (2R)-2-{[(4-chlorophenyl)sulfonyl]amino}propanoate
- IUPAC
- tert-butyl (2R)-2-[(4-chlorophenyl)sulfonylamino]propanoate
Names & synonyms
SCHEMBL1185524RIJZCYIUHRTXJS-SECBINFHSA-NAKOS019573479tert-butyl (2R)-2-{[(4-chlorophenyl)sulfonyl]amino}propanoate
Database identifiers
- PubChem CID
- 66934865
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 430
Related reactions
3 records
Compound notes
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