TL;DR: Methyl 4-oxo-4-[2-(4-sulfamoylphenyl)sulfonylhydrazinyl]but-2-enoate (CAS 114642-67-0) is a chemical compound with molecular formula C11H13N3O7S2 and molecular weight 363.0195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-oxo-4-[2-(4-sulfamoylphenyl)sulfonylhydrazinyl]but-2-enoate
Also Known As: 2-Butenedioic acid(2E)-, monomethyl ester, 2-[[4-(aminosulfonyl)phenyl]sulfonyl]hydrazide (9CI), 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-(aminosulfonyl)phenyl)sulfonyl)hydrazide, Monomethyl (E)-2-butenedioate 2-((4-(aminosulfonyl)phenyl)sulfonyl)hydrazide
| Molecular Formula | C11H13N3O7S2 |
| Molecular Weight | 363.0195 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 178.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 363.0195 Da |
| Heavy Atoms | 23 |
| Complexity | 665.0 |
| SMILES | COC(=O)C=CC(=O)NNS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N |
| InChIKey | NGPPEDWLJAJCIE-UHFFFAOYSA-N |
The XLogP value of -0.9 indicates that Methyl 4-oxo-4-[2-(4-sulfamoylphenyl)sulfonylhydrazinyl]but-2-enoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 178.0 Ų indicates high polarity, suggesting Methyl 4-oxo-4-[2-(4-sulfamoylphenyl)sulfonylhydrazinyl]but-2-enoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 4-oxo-4-[2-(4-sulfamoylphenyl)sulfonylhydrazinyl]but-2-enoate has 3 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 Methyl 4-oxo-4-[2-(4-sulfamoylphenyl)sulfonylhydrazinyl]but-2-enoate is 114642-67-0.
The molecular formula of Methyl 4-oxo-4-[2-(4-sulfamoylphenyl)sulfonylhydrazinyl]but-2-enoate is C11H13N3O7S2.
The molecular weight of Methyl 4-oxo-4-[2-(4-sulfamoylphenyl)sulfonylhydrazinyl]but-2-enoate is 363.0195 g/mol.
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