TL;DR: Methanesulfonamide, N-(4-(benzo(b)(1,7)phenanthrolin-7-ylamino)-3-(dimethylamino)phenyl)-, trihydrochloride (CAS 111880-38-7) is a chemical compound with molecular formula C25H26Cl3N5O2S and molecular weight 565.0873 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-(benzo[b][1,7]phenanthrolin-7-ylamino)-3-(dimethylamino)phenyl]methanesulfonamide;trihydrochloride
Also Known As: Methanesulfonamide, N-(4-(benzo(b)(1,7)phenanthrolin-7-ylamino)-3-(dimethylamino)phenyl)-, trihydrochloride, N-[4-(benzo[b][1,7]phenanthrolin-7-ylamino)-3-(dimethylamino)phenyl]methanesulfonamide trihydrochloride, N-{4-[(Benzo[b][1,7]phenanthrolin-7-yl)amino]-3-(dimethylamino)phenyl}methanesulfonamide--hydrogen chloride (1/3)
| Molecular Formula | C25H26Cl3N5O2S |
| Molecular Weight | 565.0873 g/mol |
| XLogP | 6.3827 |
| Topological Polar Surface Area (TPSA) | 95.6 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 565.0873 Da |
| Heavy Atoms | 36 |
| Complexity | 771.0 |
| SMILES | CN(C)C1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC4=C(C3=NC5=CC=CC=C52)C=CC=N4.Cl.Cl.Cl |
| InChIKey | KTSFLGFVKMRPMX-UHFFFAOYSA-N |
The XLogP value of 6.3827 indicates that Methanesulfonamide, N-(4-(benzo(b)(1,7)phenanthrolin-7-ylamino)-3-(dimethylamino)phenyl)-, trihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanesulfonamide, N-(4-(benzo(b)(1,7)phenanthrolin-7-ylamino)-3-(dimethylamino)phenyl)-, trihydrochloride. Following Lipinski's Rule of Five, Methanesulfonamide, N-(4-(benzo(b)(1,7)phenanthrolin-7-ylamino)-3-(dimethylamino)phenyl)-, trihydrochloride has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Methanesulfonamide, N-(4-(benzo(b)(1,7)phenanthrolin-7-ylamino)-3-(dimethylamino)phenyl)-, trihydrochloride is 111880-38-7.
The molecular formula of Methanesulfonamide, N-(4-(benzo(b)(1,7)phenanthrolin-7-ylamino)-3-(dimethylamino)phenyl)-, trihydrochloride is C25H26Cl3N5O2S.
The molecular weight of Methanesulfonamide, N-(4-(benzo(b)(1,7)phenanthrolin-7-ylamino)-3-(dimethylamino)phenyl)-, trihydrochloride is 565.0873 g/mol.
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