Basic information
- CAS
21316-12-1- Standard SMILES
Cc1ccccc1/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)F)cc1- InChIKey
POTHZXXLFKSBTA-STZFKDTASA-N- Molecular formula
- C22H17FN2O5S
- Average molar mass
- 440.4 g/mol
- Monoisotopic mass
- 440.08422098
Names & identifiers
- Preferred name
- 4-[[(Z)-2-(2-methylphenyl)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride
- IUPAC
- 4-[[(Z)-2-(2-methylphenyl)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride
Names & synonyms
NSC21166721316-12-1DTXSID50421509NSC-2116674-[(2Z)-2-(2-Methylphenyl)-3-(4-nitrophenyl)prop-2-enamido]benzene-1-sulfonyl fluoride
Database identifiers
- CAS
21316-12-1- PubChem CID
- 5962216
- DTXSID
DTXSID50421509
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 773
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…