Basic information
- CAS
66147-73-7- Standard SMILES
CNc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1- InChIKey
WSIDMACYGUCWEA-UHFFFAOYSA-N- Molecular formula
- C21H20N4O2S
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 392.13069707
Names & identifiers
- Preferred name
- Methanesulfonanilide, 4'-(3-(methylamino)-9-acridinylamino)-
- IUPAC
- N-[4-[[3-(methylamino)acridin-9-yl]amino]phenyl]methanesulfonamide
- English name
- N-[4-[3-(Methylamino)-9-acridinylamino]phenyl]methanesulfonamide
- Molecular formula
- C21H20N4O2S
- Molecular weight
- 392.47
Names & synonyms
Methanesulfonanilide, 4'-(3-(methylamino)-9-acridinylamino)-66147-73-7BRN 04543754'-((3-Methylamino-9-acridinyl)amino)methanesulfonanilideN-(p-(9-(3-Methylaminoacridinyl)amino)phenyl)methanesulfonamideCHEMBL94027DTXSID00216346N-(4-{[3-(METHYLAMINO)ACRIDIN-9-YL]AMINO}PHENYL)METHANESULFONAMIDEN-[4-[3-(Methylamino)-9-acridinylamino]phenyl]methanesulfonamideMethanesulfonamide, N-[4-[[3-(methylamino)-9-acridinyl]amino]phenyl]-
Database identifiers
- CAS
66147-73-7- PubChem CID
- 149296
- DTXSID
DTXSID00216346- ChEMBL
CHEMBL94027- Nikkaji
- J62.565E
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 614
Physicochemical properties
- Boiling point
- 609.1 · 609.1±65.0 °C(Predicted)
- Density
- 1.417 · 1.417±0.06 g/cm3(Predicted)
- pka
- 8.57 · 8.57±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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