Basic information
- CAS
478245-48-6- Standard SMILES
Cc1ccc(S(=O)(=O)c2c(C)cc(C)nc2S(=O)(=O)c2ccc(Cl)cc2)cc1- InChIKey
SDBHTUTYWYSQBS-UHFFFAOYSA-N- Molecular formula
- C20H18ClNO4S2
- Average molar mass
- 435.9 g/mol
Names & identifiers
- Preferred name
- 4-Chlorophenyl 4,6-dimethyl-3-[(4-methylphenyl)sulfonyl]-2-pyridinyl sulfone
- IUPAC
- 2-(4-chlorophenyl)sulfonyl-4,6-dimethyl-3-(4-methylphenyl)sulfonylpyridine
- English name
- 2-[(4-Chlorophenyl)sulfonyl]-4,6-dimethyl-3-[(4-methylphenyl)sulfonyl]pyridine
- Molecular formula
- C20H18ClNO4S2
- Molecular weight
- 435.94
Names & synonyms
478245-48-62-(4-chlorobenzenesulfonyl)-4,6-dimethyl-3-(4-methylbenzenesulfonyl)pyridine4-chlorophenyl 4,6-dimethyl-3-[(4-methylphenyl)sulfonyl]-2-pyridinyl sulfone2-(4-chlorophenyl)sulfonyl-4,6-dimethyl-3-(4-methylphenyl)sulfonylpyridineAKOS0051040519M-369S2-[(4-Chlorophenyl)sulfonyl]-4,6-dimethyl-3-[(4-methylphenyl)sulfonyl]pyridinePyridine, 2-[(4-chlorophenyl)sulfonyl]-4,6-dimethyl-3-[(4-methylphenyl)sulfonyl]-
Database identifiers
- CAS
478245-48-6
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 727
Physicochemical properties
- Boiling point
- 650.7 · 650.7±55.0 °C(Predicted)
- Density
- 1.361 · 1.361±0.06 g/cm3(Predicted)
- pka
- -4.81 · -4.81±0.39(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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