Ethanesulfonanilide, 4'-(9-acridinylamino)-2-(4-quinolinylamino)-, dihydrobromide, dihydrate

HCID 149381

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Basic information

CAS: 66725-04-0
Standard SMILES: Br.Br.O.O.O=S(=O)(CCNc1ccnc2ccccc12)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
InChIKey: JNLCIHBQPUCWBO-UHFFFAOYSA-N
Molecular formula: C30H31Br2N5O4S
Average molar mass: 717.5 g/mol
Monoisotopic mass: 715.04635

Names & identifiers

Preferred name: Ethanesulfonanilide, 4'-(9-acridinylamino)-2-(4-quinolinylamino)-, dihydrobromide, dihydrate
IUPAC: N-[4-(acridin-9-ylamino)phenyl]-2-(quinolin-4-ylamino)ethanesulfonamide;dihydrate;dihydrobromide

Names & synonyms

Ethanesulfonanilide, 4'-(9-acridinylamino)-2-(4-quinolinylamino)-, dihydrobromide, dihydrate66725-04-0DTXSID60216862N-{4-[(Acridin-9-yl)amino]phenyl}-2-[(quinolin-4-yl)amino]ethane-1-sulfonamide--hydrogen bromide--water (1/2/2)

Database identifiers

CAS: 66725-04-0
PubChem CID: 149381
DTXSID: DTXSID60216862

Properties

Computed structural properties

Topological polar surface area: 106 Å²
Hydrogen bond donors: 7
Hydrogen bond acceptors: 9
Rotatable bonds: 8
Heavy atoms: 42
Formal charge: 0
Complexity: 835

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