Basic information
- CAS
702650-75-7- Standard SMILES
Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(I)cc1- InChIKey
UQNSDOTVLOFGRY-UHFFFAOYSA-N- Molecular formula
- C13H11FINO2S
- Average molar mass
- 391.2 g/mol
Names & identifiers
- Preferred name
- 4-fluoro-N-(4-iodophenyl)-2-methylbenzenesulfonamide
- IUPAC
- 4-fluoro-N-(4-iodophenyl)-2-methylbenzenesulfonamide
- English name
- 4-fluoro-N-(4-iodophenyl)-2-methylbenzenesulfonamide
- Molecular formula
- C13H11FINO2S
- Molecular weight
- 391.2
Names & synonyms
4-fluoro-N-(4-iodophenyl)-2-methylbenzenesulfonamideAKOS002386613AQ-390/42699023SR-01000273880SR-01000273880-1702650-75-7Benzenesulfonamide, 4-fluoro-N-(4-iodophenyl)-2-methyl-
Database identifiers
- CAS
702650-75-7
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Boiling point
- 448.2 · 448.2±55.0 °C(Predicted)
- Density
- 1.769 · 1.769±0.06 g/cm3(Predicted)
- pka
- 7.29 · 7.29±0.10(Predicted)
Chemistry & industry
Suppliers2 total
OTAVA-BB[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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