4-bromo-N-[[5-[(4-nitrophenoxy)methyl]furan-2-yl]methylideneamino]benzenesulfonamide
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Basic information
- CAS
495395-30-7- Standard SMILES
O=[N+]([O-])c1ccc(OCc2ccc(C=NNS(=O)(=O)c3ccc(Br)cc3)o2)cc1- InChIKey
PVFFPSYWNZNPMD-UHFFFAOYSA-N- Molecular formula
- C18H14BrN3O6S
- Average molar mass
- 480.3 g/mol
- Monoisotopic mass
- 478.97867
Names & identifiers
- Preferred name
- 4-bromo-N-[[5-[(4-nitrophenoxy)methyl]furan-2-yl]methylideneamino]benzenesulfonamide
- IUPAC
- 4-bromo-N-[[5-[(4-nitrophenoxy)methyl]furan-2-yl]methylideneamino]benzenesulfonamide
- English name
- 4-bromo-N'-{[5-({4-nitrophenoxy}methyl)-2-furyl]methylene}benzenesulfonohydrazide
- Molecular formula
- C18H14BrN3O6S
- Molecular weight
- 480.29
Names & synonyms
4-bromo-N'-{[5-({4-nitrophenoxy}methyl)-2-furyl]methylene}benzenesulfonohydrazide
Database identifiers
- CAS
495395-30-7- PubChem CID
- 1014819
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 664
Physicochemical properties
- Boiling point
- 644.815 · 644.815±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.616 · 1.616±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.512 · 8.512±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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