Basic information
- CAS
64895-24-5- Standard SMILES
O=S(=O)(O)Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1- InChIKey
AMTUZBQEVMVBAQ-UHFFFAOYSA-N- Molecular formula
- C20H16N2O3S
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.08816355
Names & identifiers
- Preferred name
- Benzenemethanesulfonic acid, 4-(9-acridinylamino)-
- IUPAC
- [4-(acridin-9-ylamino)phenyl]methanesulfonic acid
Names & synonyms
64895-24-5(4-(Acridin-9-ylamino)phenyl)methanesulfonic acidBenzenemethanesulfonic acid, 4-(9-acridinylamino)-[4-(acridin-9-ylamino)phenyl]methanesulfonic acid4-(9-Acridinylamino)benzenemethanesulfonic acidCHEMBL104687DTXSID50215208{4-[(ACRIDIN-9-YL)AMINO]PHENYL}METHANESULFONIC ACID
Database identifiers
- CAS
64895-24-5- PubChem CID
- 149246
- DTXSID
DTXSID50215208- ChEMBL
CHEMBL104687
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 546
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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