Acetamide, N-(9-(p-(methylsulfonamido)anilino)acridin-3-yl)-, methanesulfonate

HCID 40686

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Basic information

CAS: 53222-15-4
Standard SMILES: CC(=O)Nc1ccc2c([NH2+]c3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1.CS(=O)(=O)[O-]
InChIKey: XYJINIWHRFYERF-UHFFFAOYSA-N
Molecular formula: C23H24N4O6S2
Average molar mass: 516.6 g/mol
Monoisotopic mass: 516.11372685

Names & identifiers

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

Names & synonyms

53222-15-4Acetamide, N-(9-((4-((methylsulfonyl)amino)phenyl)amino)-3-acridinyl)-, methanesulfonateN-(9-(p-(Methylsulfonamido)anilino)acridin-3-yl)acetamide methanesulfonateACETAMIDE, N-(9-(p-(METHYLSULFONAMIDO)ANILINO)ACRIDIN-3-YL)-, METHANESULFONATERefChem:315480

Database identifiers

CAS: 53222-15-4
PubChem CID: 40686

Properties

Computed structural properties

Topological polar surface area: 179 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 35
Formal charge: 0
Complexity: 781

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