TL;DR: Carbamic acid, (2-(((1-methylethyl)sulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-, propyl ester (CAS 141284-45-9) is a chemical compound with molecular formula C13H18F3N3O4S and molecular weight 369.09702 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propyl N-[2-(propan-2-ylsulfonylamino)-5-(trifluoromethyl)-3-pyridinyl]carbamate
Also Known As: Carbamic acid, (2-(((1-methylethyl)sulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-, propyl ester, Propyl (2-(isopropylsulfonamido)-5-(trifluoromethyl)-3-pyridinyl)carbamate, Propyl [2-(propane-2-sulfonamido)-5-(trifluoromethyl)pyridin-3-yl]carbamate, propyl N-[2-(propan-2-ylsulfonylamino)-5-(trifluoromethyl)pyridin-3-yl]carbamate
| Molecular Formula | C13H18F3N3O4S |
| Molecular Weight | 369.09702 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 369.09702 Da |
| Heavy Atoms | 24 |
| Complexity | 520.0 |
| SMILES | CCCOC(=O)NC1=C(N=CC(=C1)C(F)(F)F)NS(=O)(=O)C(C)C |
| InChIKey | FVMIWZULNUJCTL-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, (2-(((1-methylethyl)sulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-, propyl ester. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, (2-(((1-methylethyl)sulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-, propyl ester. Following Lipinski's Rule of Five, Carbamic acid, (2-(((1-methylethyl)sulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-, propyl ester has 2 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 Carbamic acid, (2-(((1-methylethyl)sulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-, propyl ester is 141284-45-9.
The molecular formula of Carbamic acid, (2-(((1-methylethyl)sulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-, propyl ester is C13H18F3N3O4S.
The molecular weight of Carbamic acid, (2-(((1-methylethyl)sulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-, propyl ester is 369.09702 g/mol.
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