Basic information
- CAS
64895-26-7- Standard SMILES
O=[N+]([O-])c1ccc2c(Nc3ccc(CCS(=O)(=O)O)cc3)c3ccccc3nc2c1- InChIKey
FURPCXISFHRILM-UHFFFAOYSA-N- Molecular formula
- C21H17N3O5S
- Average molar mass
- 423.4 g/mol
- Monoisotopic mass
- 423.08889182
Names & identifiers
- Preferred name
- Benzeneethanesulfonic acid, 4-((3-nitro-9-acridinyl)amino)-
- IUPAC
- 2-[4-[(3-nitroacridin-9-yl)amino]phenyl]ethanesulfonic acid
Names & synonyms
64895-26-72-(4-((3-Nitroacridin-9-yl)amino)phenyl)ethanesulfonic acidBenzeneethanesulfonic acid, 4-((3-nitro-9-acridinyl)amino)-2-[4-[(3-nitroacridin-9-yl)amino]phenyl]ethanesulfonic acid4-((3-Nitro-9-acridinyl)amino)benzeneethanesulfonic acidCHEMBL106464DTXSID202152102-{4-[(3-NITROACRIDIN-9-YL)AMINO]PHENYL}ETHANE-1-SULFONIC ACID
Database identifiers
- CAS
64895-26-7- PubChem CID
- 149248
- DTXSID
DTXSID20215210- ChEMBL
CHEMBL106464
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 698
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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