Basic information
- CAS
66147-70-4- Standard SMILES
NS(=O)(=O)Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1- InChIKey
QPLRHBSMCAJLGG-UHFFFAOYSA-N- Molecular formula
- C20H17N3O2S
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.10414797
Names & identifiers
- Preferred name
- Methanesulfonamide, 1-(p-(9-acridinylamino)phenyl)-
- IUPAC
- [4-(acridin-9-ylamino)phenyl]methanesulfonamide
- English name
- p-(9-Acridinylamino)phenylmethanesulfonamide
- Molecular formula
- C20H17N3O2S
- Molecular weight
- 363.43
Names & synonyms
Methanesulfonamide, 1-(p-(9-acridinylamino)phenyl)-66147-70-4BRN 04447701-(p-(9-Acridinylamino)phenyl)methanesulfonamideCHEMBL323500DTXSID202163431-{4-[(Acridin-9-yl)amino]phenyl}methanesulfonamidep-(9-Acridinylamino)phenylmethanesulfonamideBenzenemethanesulfonamide, 4-(9-acridinylamino)-
Database identifiers
- CAS
66147-70-4- PubChem CID
- 152602
- DTXSID
DTXSID20216343- ChEMBL
CHEMBL323500- Nikkaji
- J85.380A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 546
Physicochemical properties
- Boiling point
- 600.6 · 600.6±65.0 °C(Predicted)
- Density
- 1.408 · 1.408±0.06 g/cm3(Predicted)
- pka
- 10.4 · 10.40±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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