Basic information
- CAS
64894-94-6- Standard SMILES
CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(I)ccc23)cc1- InChIKey
CZPVHNQIEXTQTA-UHFFFAOYSA-N- Molecular formula
- C20H16IN3O2S
- Average molar mass
- 489.3 g/mol
- Monoisotopic mass
- 489.0008
Names & identifiers
- Preferred name
- 4'-(3-Iodo-9-acridinylamino)methanesulfonanilide
- IUPAC
- N-[4-[(3-iodoacridin-9-yl)amino]phenyl]methanesulfonamide
Names & synonyms
64894-94-6BRN 04997354'-(3-Iodo-9-acridinylamino)methanesulfonanilideMethanesulfonanilide, 4'-((3-iodo-9-acridinyl)amino)-CHEMBL328966DTXSID30983473N-{4-[(3-Iodoacridin-9(10H)-ylidene)amino]phenyl}methanesulfonamide
Database identifiers
- CAS
64894-94-6- PubChem CID
- 149239
- DTXSID
DTXSID30983473- ChEMBL
CHEMBL328966- Nikkaji
- J85.410G
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 603
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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