Basic information
- CAS
63413-56-9- Standard SMILES
CC(=O)Nc1ccccc1S(=O)(=O)Oc1c(I)cc(Cl)c2cccnc12- InChIKey
JMTNKICQECJLNE-UHFFFAOYSA-N- Molecular formula
- C17H12ClIN2O4S
- Average molar mass
- 502.7 g/mol
- Monoisotopic mass
- 501.9251
Names & identifiers
- Preferred name
- Benzenesulfonic acid, (acetylamino)-, 5-chloro-7-iodo-8-quinolinyl ester
- IUPAC
- (5-chloro-7-iodoquinolin-8-yl) 2-acetamidobenzenesulfonate
Names & synonyms
Benzenesulfonic acid, (acetylamino)-, 5-chloro-7-iodo-8-quinolinyl ester(Acetylamino)benzenesulfonic acid 5-chloro-7-iodo-8-quinolinyl ester63413-56-9DTXSID90212832RefChem:325510DTXCID201353235-Chloro-7-iodoquinolin-8-yl 2-acetamidobenzene-1-sulfonate
Database identifiers
- CAS
63413-56-9- PubChem CID
- 3047366
- DTXSID
DTXSID90212832
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 614
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…