TL;DR: p-Toluenesulfonamide, N-(p-amidinomethyl-alpha-(piperidinocarbonyl)benzyl)- (CAS 109006-06-6) is a chemical compound with molecular formula C22H29N5O3S and molecular weight 443.1991 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-[1-[(4-methylphenyl)sulfonylamino]-2-oxo-2-piperidin-1-ylethyl]phenyl]methyl]guanidine
Also Known As: p-Toluenesulfonamide, N-(p-amidinomethyl-alpha-(piperidinocarbonyl)benzyl)-, Piperidine, 1-((4-(((aminoiminomethyl)amino)methyl)phenyl)((((4-methylphenyl)sulfonyl)amino)acetyl))-, 2-[[4-[1-[(4-methylphenyl)sulfonylamino]-2-oxo-2-piperidin-1-ylethyl]phenyl]methyl]guanidine, N-[1-{4-[(Carbamimidoylamino)methyl]phenyl}-2-oxo-2-(piperidin-1-yl)ethyl]-4-methylbenzene-1-sulfonamide, N-{1-[4-(Carbamimidamidomethyl)phenyl]-2-oxo-2-(piperidin-1-yl)ethyl}-4-methylbenzene-1-sulfonamide
| Molecular Formula | C22H29N5O3S |
| Molecular Weight | 443.1991 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.1991 Da |
| Heavy Atoms | 31 |
| Complexity | 710.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=C(C=C2)CN=C(N)N)C(=O)N3CCCCC3 |
| InChIKey | SOFWHFWVXQJBDO-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Toluenesulfonamide, N-(p-amidinomethyl-alpha-(piperidinocarbonyl)benzyl)-. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Toluenesulfonamide, N-(p-amidinomethyl-alpha-(piperidinocarbonyl)benzyl)-. Following Lipinski's Rule of Five, p-Toluenesulfonamide, N-(p-amidinomethyl-alpha-(piperidinocarbonyl)benzyl)- has 3 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 p-Toluenesulfonamide, N-(p-amidinomethyl-alpha-(piperidinocarbonyl)benzyl)- is 109006-06-6.
The molecular formula of p-Toluenesulfonamide, N-(p-amidinomethyl-alpha-(piperidinocarbonyl)benzyl)- is C22H29N5O3S.
The molecular weight of p-Toluenesulfonamide, N-(p-amidinomethyl-alpha-(piperidinocarbonyl)benzyl)- is 443.1991 g/mol.
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