TL;DR: Benzamide, 5-(aminosulfonyl)-2-methoxy-N-(3-(4-methyl-1-piperazinyl)propyl)-, ethanedioate (1:2) (CAS 129051-65-6) is a chemical compound with molecular formula C20H30N4O12S and molecular weight 550.1581 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide;oxalic acid
Also Known As: Benzamide, 5-(aminosulfonyl)-2-methoxy-N-(3-(4-methyl-1-piperazinyl)propyl)-, ethanedioate (1:2), 5-(Aminosulfonyl)-2-methoxy-N-(3-(4-methyl-1-piperazinyl)propyl)benzamide ethanediate (1:2), 2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide; oxalic acid, Oxalic acid--2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide (2/1)
| Molecular Formula | C20H30N4O12S |
| Molecular Weight | 550.1581 g/mol |
| XLogP | -1.9789 |
| Topological Polar Surface Area (TPSA) | 263.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 550.1581 Da |
| Heavy Atoms | 37 |
| Complexity | 600.0 |
| SMILES | CN1CCN(CC1)CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
| InChIKey | BXAFLSUHOOTVPU-UHFFFAOYSA-N |
The XLogP value of -1.9789 indicates that Benzamide, 5-(aminosulfonyl)-2-methoxy-N-(3-(4-methyl-1-piperazinyl)propyl)-, ethanedioate (1:2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 263.0 Ų indicates high polarity, suggesting Benzamide, 5-(aminosulfonyl)-2-methoxy-N-(3-(4-methyl-1-piperazinyl)propyl)-, ethanedioate (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzamide, 5-(aminosulfonyl)-2-methoxy-N-(3-(4-methyl-1-piperazinyl)propyl)-, ethanedioate (1:2) has 6 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzamide, 5-(aminosulfonyl)-2-methoxy-N-(3-(4-methyl-1-piperazinyl)propyl)-, ethanedioate (1:2) is 129051-65-6.
The molecular formula of Benzamide, 5-(aminosulfonyl)-2-methoxy-N-(3-(4-methyl-1-piperazinyl)propyl)-, ethanedioate (1:2) is C20H30N4O12S.
The molecular weight of Benzamide, 5-(aminosulfonyl)-2-methoxy-N-(3-(4-methyl-1-piperazinyl)propyl)-, ethanedioate (1:2) is 550.1581 g/mol.
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