TL;DR: Benzoic acid, 2-((3-(2-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)hydrazino)-1,3-dioxopropyl)amino)- (CAS 115150-38-4) is a chemical compound with molecular formula C18H18N4O8S and molecular weight 450.08453 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[3-[2-[4-(methoxycarbonylamino)phenyl]sulfonylhydrazinyl]-3-oxopropanoyl]amino]benzoic acid
Also Known As: Benzoic acid, 2-((3-(2-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)hydrazino)-1,3-dioxopropyl)amino)-, 2-[[2-[[[4-(methoxycarbonylamino)phenyl]sulfonylamino]carbamoyl]acetyl]amino]benzoic Acid, 2-[[3-[2-[4-(methoxycarbonylamino)phenyl]sulfonylhydrazinyl]-3-oxopropanoyl]amino]benzoic acid, 2-[3-(2-{4-[(Methoxycarbonyl)amino]benzene-1-sulfonyl}hydrazin-1-yl)-3-oxopropanamido]benzoic acid
| Molecular Formula | C18H18N4O8S |
| Molecular Weight | 450.08453 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 188.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 450.08453 Da |
| Heavy Atoms | 31 |
| Complexity | 774.0 |
| SMILES | COC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)CC(=O)NC2=CC=CC=C2C(=O)O |
| InChIKey | BAILTPSKRKEULQ-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-((3-(2-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)hydrazino)-1,3-dioxopropyl)amino)-. The TPSA of 188.0 Ų indicates high polarity, suggesting Benzoic acid, 2-((3-(2-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)hydrazino)-1,3-dioxopropyl)amino)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 2-((3-(2-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)hydrazino)-1,3-dioxopropyl)amino)- has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzoic acid, 2-((3-(2-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)hydrazino)-1,3-dioxopropyl)amino)- is 115150-38-4.
The molecular formula of Benzoic acid, 2-((3-(2-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)hydrazino)-1,3-dioxopropyl)amino)- is C18H18N4O8S.
The molecular weight of Benzoic acid, 2-((3-(2-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)hydrazino)-1,3-dioxopropyl)amino)- is 450.08453 g/mol.
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