1-Hexanesulfonanilide, 4'-(3-acetamido-9-acridinylamino)-3'-methoxy-, hydrochloride, dihydrate

HCID 51409

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Basic information

CAS: 71802-81-8
Standard SMILES: CCCCCCS(=O)(=O)Nc1ccc([NH2+]c2c3ccccc3nc3ccc(NC(C)=O)cc23)c(OC)c1.[Cl-]
InChIKey: AUDNRBLQKDELFY-UHFFFAOYSA-N
Molecular formula: C28H33ClN4O4S
Average molar mass: 557.1 g/mol
Monoisotopic mass: 556.1911044

Names & identifiers

Preferred name: 1-Hexanesulfonanilide, 4'-(3-acetamido-9-acridinylamino)-3'-methoxy-, hydrochloride, dihydrate
IUPAC: (2-acetamidoacridin-9-yl)-[4-(hexylsulfonylamino)-2-methoxyphenyl]azanium chloride

Names & synonyms

1-Hexanesulfonanilide, 4'-(3-acetamido-9-acridinylamino)-3'-methoxy-, hydrochloride, dihydrate71802-81-84'-(3-Acetamido-9-acridinylamino)-3'-methoxy-1-hexanesulfonanilide hydrochloride dihydrateAcetamide, N-(9-(4-(hexylsulfonamido)-2-methoxyanilino)-3-acridinyl)-, monohydrochlorideRefChem:230710

Database identifiers

CAS: 71802-81-8
PubChem CID: 51409

Properties

Computed structural properties

Topological polar surface area: 122 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 11
Heavy atoms: 38
Formal charge: 0
Complexity: 835

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