Basic information
- CAS
21316-09-6- Standard SMILES
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)F)cc1- InChIKey
KLSCCVCDMSMEBD-ZHACJKMWSA-N- Molecular formula
- C16H13FN2O5S
- Average molar mass
- 364.3 g/mol
- Monoisotopic mass
- 364.05292086
Names & identifiers
- Preferred name
- 4-[[(E)-2-methyl-3-(4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride
- IUPAC
- 4-[[(E)-2-methyl-3-(4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride
Names & synonyms
NSC21168021316-09-6DTXSID50420931NSC-2116804-[(2E)-2-Methyl-3-(4-nitrophenyl)prop-2-enamido]benzene-1-sulfonyl fluoride
Database identifiers
- CAS
21316-09-6- PubChem CID
- 5774036
- DTXSID
DTXSID50420931
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 622
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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