Pentanesulfonanilide, 4'-(3-acetamido-9-acridinylamino)-

HCID 40683

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Basic information

CAS: 53222-03-0
Standard SMILES: CCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)cc1
InChIKey: ARJMVZJVCUBKTH-UHFFFAOYSA-N
Molecular formula: C26H28N4O3S
Average molar mass: 476.6 g/mol
Monoisotopic mass: 476.18821194

Names & identifiers

Preferred name: Pentanesulfonanilide, 4'-(3-acetamido-9-acridinylamino)-
IUPAC: N-[9-[4-(pentylsulfonylamino)anilino]acridin-3-yl]acetamide

Names & synonyms

BRN 0504217Pentanesulfonanilide, 4'-(3-acetamido-9-acridinylamino)-53222-03-0N-(p-(9-(3-Acetamidoacridinyl)amino)phenyl)-1-pentanesulfonamideDTXSID00201318RefChem:368151DTXCID00123809CHEMBL105924N-{9-[4-(Pentane-1-sulfonamido)anilino]acridin-3-yl}acetamide

Database identifiers

CAS: 53222-03-0
PubChem CID: 40683
DTXSID: DTXSID00201318
ChEMBL: CHEMBL105924

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 109 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 9
Heavy atoms: 34
Formal charge: 0
Complexity: 762

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