Basic information
- CAS
477710-03-5- Standard SMILES
COc1ccc(S(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C#N)cc1- InChIKey
NULPBHCJUKOVDF-UHFFFAOYSA-N- Molecular formula
- C21H14Cl2N2O3S
- Average molar mass
- 445.3 g/mol
Names & identifiers
- Preferred name
- 2,4-dichloro-N-{3-cyano-4-[(4-methoxyphenyl)sulfinyl]phenyl}benzenecarboxamide
- IUPAC
- 2,4-dichloro-N-[3-cyano-4-(4-methoxyphenyl)sulfinylphenyl]benzamide
- English name
- 2,4-Dichloro-N-(3-cyano-4-[(4-methoxyphenyl)sulfinyl]phenyl)benzenecarboxamide
- Molecular formula
- C21H14Cl2N2O3S
- Molecular weight
- 445.32
Names & synonyms
477710-03-52,4-dichloro-N-{3-cyano-4-[(4-methoxyphenyl)sulfinyl]phenyl}benzenecarboxamide2,4-dichloro-N-[3-cyano-4-(4-methoxyphenyl)sulfinylphenyl]benzamide2,4-Dichloro-N-(3-cyano-4-((4-methoxyphenyl)sulfinyl)phenyl)benzamideOprea1_755415AKOS0050830441L-552S2,4-dichloro-N-[3-cyano-4-(4-methoxybenzenesulfinyl)phenyl]benzamideBenzamide, 2,4-dichloro-N-[3-cyano-4-[(4-methoxyphenyl)sulfinyl]phenyl]-2,4-Dichloro-N-(3-cyano-4-[(4-methoxyphenyl)sulfinyl]phenyl)benzenecarboxamide
Database identifiers
- CAS
477710-03-5
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 647
Physicochemical properties
- Boiling point
- 583.2 · 583.2±50.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 10.46 · 10.46±0.70(Predicted)
Chemistry & industry
Suppliers4 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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