Basic information
- CAS
88412-91-3- Standard SMILES
CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(NCCO)c1- InChIKey
YVQAPVVKNRCDRE-UHFFFAOYSA-N- Molecular formula
- C22H22N4O3S
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.14126175
Names & identifiers
- Preferred name
- Methanesulfonamide, N-(4-(9-acridinylamino)-3-((2-hydroxyethyl)amino)phenyl)-
- IUPAC
- N-[4-(acridin-9-ylamino)-3-(2-hydroxyethylamino)phenyl]methanesulfonamide
Names & synonyms
88412-91-3Methanesulfonamide, N-(4-(9-acridinylamino)-3-((2-hydroxyethyl)amino)phenyl)-N-(4-(9-Acridinylamino)-3-((2-hydroxyethyl)amino)phenyl)methanesulfonamideCHEMBL123524DTXSID20237033N-{4-[(ACRIDIN-9-YL)AMINO]-3-[(2-HYDROXYETHYL)AMINO]PHENYL}METHANESULFONAMIDE
Database identifiers
- CAS
88412-91-3- PubChem CID
- 174682
- DTXSID
DTXSID20237033- ChEMBL
CHEMBL123524
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 633
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…