N-(4-(9-Acridinylamino)-3-(2-hydroxyethoxy)phenyl)methanesulfonamide

HCID 149809

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Basic information

CAS: 80266-45-1
Standard SMILES: CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(OCCO)c1
InChIKey: SIHRZECBNKTYOJ-UHFFFAOYSA-N
Molecular formula: C22H21N3O4S
Average molar mass: 423.5 g/mol
Monoisotopic mass: 423.12527733

Names & identifiers

Preferred name: N-(4-(9-Acridinylamino)-3-(2-hydroxyethoxy)phenyl)methanesulfonamide
IUPAC: N-[4-(acridin-9-ylamino)-3-(2-hydroxyethoxy)phenyl]methanesulfonamide

Names & synonyms

80266-45-1Methanesulfonamide, N-(4-(9-acridinylamino)-3-(2-hydroxyethoxy)phenyl)-N-(4-(9-Acridinylamino)-3-(2-hydroxyethoxy)phenyl)methanesulfonamideCHEMBL105846DTXSID20230201N-{4-[(ACRIDIN-9-YL)AMINO]-3-(2-HYDROXYETHOXY)PHENYL}METHANESULFONAMIDE

Database identifiers

CAS: 80266-45-1
PubChem CID: 149809
DTXSID: DTXSID20230201
ChEMBL: CHEMBL105846

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 109 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 30
Formal charge: 0
Complexity: 633

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