Acetamide, N-(9-(4-(hexylsulfonamido)anilino)acridin-3-yl)-, methanesulfonate

HCID 40685

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Basic information

CAS: 53222-06-3
Standard SMILES: CCCCCCS(=O)(=O)Nc1ccc([NH2+]c2c3ccccc3nc3cc(NC(C)=O)ccc23)cc1.CS(=O)(=O)[O-]
InChIKey: QGGUOGWJVQPOFV-UHFFFAOYSA-N
Molecular formula: C28H34N4O6S2
Average molar mass: 586.7 g/mol
Monoisotopic mass: 586.19197716

Names & identifiers

Preferred name: Acetamide, N-(9-(4-(hexylsulfonamido)anilino)acridin-3-yl)-, methanesulfonate
IUPAC: (3-acetamidoacridin-9-yl)-[4-(hexylsulfonylamino)phenyl]azanium;methanesulfonate

Names & synonyms

N-(9-(4-(Hexylsulfonamido)anilino)acridin-3-yl)acetamide methanesulfonateACETAMIDE, N-(9-(4-(HEXYLSULFONAMIDO)ANILINO)ACRIDIN-3-YL)-, METHANESULFONATE53222-06-3RefChem:315477

Database identifiers

CAS: 53222-06-3
PubChem CID: 40685

Properties

Computed structural properties

Topological polar surface area: 179 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 10
Heavy atoms: 40
Formal charge: 0
Complexity: 857

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