TL;DR: Benzoic acid, 2-((1,3-dioxo-3-(2-(phenylsulfonyl)hydrazino)propyl)amino)- (CAS 115150-36-2) is a chemical compound with molecular formula C16H15N3O6S and molecular weight 377.06815 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[3-[2-(benzenesulfonyl)hydrazinyl]-3-oxopropanoyl]amino]benzoic acid
Also Known As: Benzoic acid, 2-((1,3-dioxo-3-(2-(phenylsulfonyl)hydrazino)propyl)amino)-, 2-((1,3-Dioxo-3-(2-(phenylsulfonyl)hydrazino)propyl)amino)benzoic acid, 2-[[3-[2-(benzenesulfonyl)hydrazinyl]-3-oxopropanoyl]amino]benzoic acid, 2-{3-[2-(Benzenesulfonyl)hydrazin-1-yl]-3-oxopropanamido}benzoic acid
| Molecular Formula | C16H15N3O6S |
| Molecular Weight | 377.06815 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.06815 Da |
| Heavy Atoms | 26 |
| Complexity | 624.0 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)NNC(=O)CC(=O)NC2=CC=CC=C2C(=O)O |
| InChIKey | ZTPIBCZZJWWIFC-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-((1,3-dioxo-3-(2-(phenylsulfonyl)hydrazino)propyl)amino)-. The TPSA of 150.0 Ų indicates high polarity, suggesting Benzoic acid, 2-((1,3-dioxo-3-(2-(phenylsulfonyl)hydrazino)propyl)amino)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 2-((1,3-dioxo-3-(2-(phenylsulfonyl)hydrazino)propyl)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-((1,3-dioxo-3-(2-(phenylsulfonyl)hydrazino)propyl)amino)- is 115150-36-2.
The molecular formula of Benzoic acid, 2-((1,3-dioxo-3-(2-(phenylsulfonyl)hydrazino)propyl)amino)- is C16H15N3O6S.
The molecular weight of Benzoic acid, 2-((1,3-dioxo-3-(2-(phenylsulfonyl)hydrazino)propyl)amino)- is 377.06815 g/mol.
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