Basic information
- CAS
53222-05-2- Standard SMILES
CCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)cc1- InChIKey
CSXODDCLJJBPLN-UHFFFAOYSA-N- Molecular formula
- C27H30N4O3S
- Average molar mass
- 490.6 g/mol
- Monoisotopic mass
- 490.20386201
Names & identifiers
- Preferred name
- 1-Hexanesulfonanilide, 4'-(3-acetamido-9-acridinylamino)-
- IUPAC
- N-[9-[4-(hexylsulfonylamino)anilino]acridin-3-yl]acetamide
- English name
- N-[4-[(3-Acetylamino-9-acridinyl)amino]phenyl]-1-hexanesulfonamide
- Molecular formula
- C27H30N4O3S
- Molecular weight
- 490.62
Names & synonyms
BRN 050442953222-05-21-HEXANESULFONANILIDE, 4'-(3-ACETAMIDO-9-ACRIDINYLAMINO)-DTXSID60201319N-(p-(9-(3-Acetamidoacridinyl)amino)phenyl)-1-hexanesulfonamideRefChem:230709DTXCID10123810CHEMBL321151DB-320766N-{9-[4-(Hexane-1-sulfonamido)anilino]acridin-3-yl}acetamideN-[4-[(3-acetylamino-9-acridinyl)amino]phenyl ]-1-hexanesulfonamideN-[4-[(3-Acetylamino-9-acridinyl)amino]phenyl]-1-hexanesulfonamide
Show more names
Acetamide, N-[9-[[4-[(hexylsulfonyl)amino]phenyl]amino]-3-acridinyl]-
Database identifiers
- CAS
53222-05-2- PubChem CID
- 40684
- DTXSID
DTXSID60201319- ChEMBL
CHEMBL321151- Nikkaji
- J73.702J
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 778
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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