Methanesulfonanilide, 3'-methoxy-4'-(3-nitro-9-acridinylamino)-, hydrochloride

HCID 5488079

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Basic information

CAS: 59748-52-6
Standard SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc([N+](=O)[O-])ccc12.Cl
InChIKey: OMWRIJGBYMTOCY-UHFFFAOYSA-N
Molecular formula: C21H19ClN4O5S
Average molar mass: 474.9 g/mol
Monoisotopic mass: 474.0764686

Names & identifiers

Preferred name: Methanesulfonanilide, 3'-methoxy-4'-(3-nitro-9-acridinylamino)-, hydrochloride
IUPAC: N-[3-methoxy-4-[(3-nitroacridin-9-yl)amino]phenyl]methanesulfonamide;hydrochloride

Names & synonyms

Methanesulfonanilide, 3'-methoxy-4'-(3-nitro-9-acridinylamino)-, hydrochloride3'-Methoxy-4'-(3-nitro-9-acridinylamino)methanesulfonanilide hydrochloride59748-52-6DTXSID50208458RefChem:352284DTXCID70130949CHEMBL3251514N-{3-Methoxy-4-[(3-nitroacridin-9-yl)amino]phenyl}methanesulfonamide--hydrogen chloride (1/1)

Database identifiers

CAS: 59748-52-6
PubChem CID: 5488079
DTXSID: DTXSID50208458
ChEMBL: CHEMBL3251514

Properties

Computed structural properties

Topological polar surface area: 135 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 32
Formal charge: 0
Complexity: 739

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