TL;DR: 2-(4-((2-Nitrophenyl)sulfonyl)piperazin-1-yl)ethanol (CAS 349090-59-1) is a chemical compound with molecular formula C12H17N3O5S and molecular weight 315.0889 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanol
Also Known As: 2-(4-((2-Nitrophenyl)sulfonyl)piperazin-1-yl)ethanol, 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanol, 2-[4-(2-nitrobenzenesulfonyl)piperazin-1-yl]ethan-1-ol, 2-(4-((2-nitrophenyl)sulfonyl)piperazin-1-yl)ethan-1-ol, 1-{[4-(2-hydroxyethyl)piperazinyl]sulfonyl}-2-nitrobenzene
| Molecular Formula | C12H17N3O5S |
| Molecular Weight | 315.0889 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.0889 Da |
| Heavy Atoms | 21 |
| Complexity | 450.0 |
| SMILES | C1CN(CCN1CCO)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | FFSXQCVHQOESDB-UHFFFAOYSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-((2-Nitrophenyl)sulfonyl)piperazin-1-yl)ethanol. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-((2-Nitrophenyl)sulfonyl)piperazin-1-yl)ethanol. Following Lipinski's Rule of Five, 2-(4-((2-Nitrophenyl)sulfonyl)piperazin-1-yl)ethanol has 1 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 2-(4-((2-Nitrophenyl)sulfonyl)piperazin-1-yl)ethanol is 349090-59-1.
The molecular formula of 2-(4-((2-Nitrophenyl)sulfonyl)piperazin-1-yl)ethanol is C12H17N3O5S.
The molecular weight of 2-(4-((2-Nitrophenyl)sulfonyl)piperazin-1-yl)ethanol is 315.0889 g/mol.
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