TL;DR: Benzoic acid, 2-((3-(2-((4-methylphenyl)sulfonyl)hydrazino)-1,3-dioxopropyl)amino)- (CAS 115150-37-3) is a chemical compound with molecular formula C17H17N3O6S and molecular weight 391.0838 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[3-[2-(4-methylphenyl)sulfonylhydrazinyl]-3-oxopropanoyl]amino]benzoic acid
Also Known As: Benzoic acid, 2-((3-(2-((4-methylphenyl)sulfonyl)hydrazino)-1,3-dioxopropyl)amino)-, 2-((3-(2-((4-Methylphenyl)sulfonyl)hydrazino)-1,3-dioxopropyl)amino)benzoic acid, 2-[[3-[2-(4-methylphenyl)sulfonylhydrazinyl]-3-oxopropanoyl]amino]benzoic acid, 2-{3-[2-(4-Methylbenzene-1-sulfonyl)hydrazin-1-yl]-3-oxopropanamido}benzoic acid
| Molecular Formula | C17H17N3O6S |
| Molecular Weight | 391.0838 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 391.0838 Da |
| Heavy Atoms | 27 |
| Complexity | 652.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)CC(=O)NC2=CC=CC=C2C(=O)O |
| InChIKey | FJEYHCKPQJBNOV-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-((3-(2-((4-methylphenyl)sulfonyl)hydrazino)-1,3-dioxopropyl)amino)-. The TPSA of 150.0 Ų indicates high polarity, suggesting Benzoic acid, 2-((3-(2-((4-methylphenyl)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-methylphenyl)sulfonyl)hydrazino)-1,3-dioxopropyl)amino)- has 4 hydrogen bond donor(s) and 7 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-methylphenyl)sulfonyl)hydrazino)-1,3-dioxopropyl)amino)- is 115150-37-3.
The molecular formula of Benzoic acid, 2-((3-(2-((4-methylphenyl)sulfonyl)hydrazino)-1,3-dioxopropyl)amino)- is C17H17N3O6S.
The molecular weight of Benzoic acid, 2-((3-(2-((4-methylphenyl)sulfonyl)hydrazino)-1,3-dioxopropyl)amino)- is 391.0838 g/mol.
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