TL;DR: Methanesulfonamide, N-(3-(dimethylamino)-4-((3-nitro-9-acridinyl)amino)phenyl)-, dihydrochloride (CAS 106521-34-0) is a chemical compound with molecular formula C22H23Cl2N5O4S and molecular weight 523.0848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-(dimethylamino)-4-[(3-nitroacridin-9-yl)amino]phenyl]methanesulfonamide;dihydrochloride
Also Known As: Methanesulfonamide, N-(3-(dimethylamino)-4-((3-nitro-9-acridinyl)amino)phenyl)-, dihydrochloride, N-(3-(Dimethylamino)-4-((3-nitro-9-acridinyl)amino)phenyl)methanesulfonamide dihydrochloride, N-[3-(dimethylamino)-4-[(3-nitroacridin-9-yl)amino]phenyl]methanesulfonamide dihydrochloride, N-{3-(Dimethylamino)-4-[(3-nitroacridin-9-yl)amino]phenyl}methanesulfonamide--hydrogen chloride (1/2)
| Molecular Formula | C22H23Cl2N5O4S |
| Molecular Weight | 523.0848 g/mol |
| XLogP | 5.3209 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 523.0848 Da |
| Heavy Atoms | 34 |
| Complexity | 767.0 |
| SMILES | CN(C)C1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)[N+](=O)[O-].Cl.Cl |
| InChIKey | VJRORQFFSGDSLJ-UHFFFAOYSA-N |
The XLogP value of 5.3209 indicates that Methanesulfonamide, N-(3-(dimethylamino)-4-((3-nitro-9-acridinyl)amino)phenyl)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanesulfonamide, N-(3-(dimethylamino)-4-((3-nitro-9-acridinyl)amino)phenyl)-, dihydrochloride. Following Lipinski's Rule of Five, Methanesulfonamide, N-(3-(dimethylamino)-4-((3-nitro-9-acridinyl)amino)phenyl)-, dihydrochloride has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Methanesulfonamide, N-(3-(dimethylamino)-4-((3-nitro-9-acridinyl)amino)phenyl)-, dihydrochloride is 106521-34-0.
The molecular formula of Methanesulfonamide, N-(3-(dimethylamino)-4-((3-nitro-9-acridinyl)amino)phenyl)-, dihydrochloride is C22H23Cl2N5O4S.
The molecular weight of Methanesulfonamide, N-(3-(dimethylamino)-4-((3-nitro-9-acridinyl)amino)phenyl)-, dihydrochloride is 523.0848 g/mol.
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