TL;DR: N-(4-Aminobenzene-1-sulfonyl)ethanimidic acid--piperidine (1/1) (CAS 113712-86-0) is a chemical compound with molecular formula C13H21N3O3S and molecular weight 299.13037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1Z)-N-(4-aminophenyl)sulfonylethanimidate;piperidin-1-ium
Also Known As: N-(4-aminophenyl)sulfonylacetamide,piperidine, N-((4-Aminophenyl)sulfonyl)acetamide compd. with piperidine (1:1), Acetamide,N-((4-aminophenyl)sulfonyl)-with piperidine, (1Z)-N-(4-aminophenyl)sulfonylethanimidate;piperidin-1-ium, ACETAMIDE, N-((4-AMINOPHENYL)SULFONYL)-, compd. with PIPERIDINE (1:1)
| Molecular Formula | C13H21N3O3S |
| Molecular Weight | 299.13037 g/mol |
| XLogP | -0.5301 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.13037 Da |
| Heavy Atoms | 20 |
| Complexity | 341.0 |
| SMILES | C/C(=N/S(=O)(=O)C1=CC=C(C=C1)N)/[O-].C1CC[NH2+]CC1 |
| InChIKey | UXLUVWOCLPTSLC-UHFFFAOYSA-N |
The XLogP value of -0.5301 indicates that N-(4-Aminobenzene-1-sulfonyl)ethanimidic acid--piperidine (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Aminobenzene-1-sulfonyl)ethanimidic acid--piperidine (1/1). Following Lipinski's Rule of Five, N-(4-Aminobenzene-1-sulfonyl)ethanimidic acid--piperidine (1/1) has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(4-Aminobenzene-1-sulfonyl)ethanimidic acid--piperidine (1/1) is 113712-86-0.
The molecular formula of N-(4-Aminobenzene-1-sulfonyl)ethanimidic acid--piperidine (1/1) is C13H21N3O3S.
The molecular weight of N-(4-Aminobenzene-1-sulfonyl)ethanimidic acid--piperidine (1/1) is 299.13037 g/mol.
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