Basic information
- CAS
21316-10-9- Standard SMILES
O=C(Nc1ccc(S(=O)(=O)F)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)CCc1ccccc1- InChIKey
VTOORPZKGJOVCJ-KNTRCKAVSA-N- Molecular formula
- C23H19FN2O5S
- Average molar mass
- 454.5 g/mol
- Monoisotopic mass
- 454.09987105
Names & identifiers
- Preferred name
- 4-({(2E)-2-[(4-Nitrophenyl)methylidene]-4-phenylbutanoyl}amino)benzene-1-sulfonyl fluoride
- IUPAC
- 4-[[(2E)-2-[(4-nitrophenyl)methylidene]-4-phenylbutanoyl]amino]benzenesulfonyl fluoride
Names & synonyms
21316-10-9DTXSID60421510NSC211668NSC-2116684-({(2E)-2-[(4-Nitrophenyl)methylidene]-4-phenylbutanoyl}amino)benzene-1-sulfonyl fluoride4-{(2E)-2-[(4-Nitrophenyl)methylidene]-4-phenylbutanamido}benzene-1-sulfonyl fluoride
Database identifiers
- CAS
21316-10-9- PubChem CID
- 5962217
- DTXSID
DTXSID60421510
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 767
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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