TL;DR: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(morpholin-4-ylmethyl)octane-1-sulfonamide (CAS 100221-83-8) is a chemical compound with molecular formula C13H11F17N2O3S and molecular weight 598.0219 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(morpholin-4-ylmethyl)octane-1-sulfonamide
Also Known As: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(morpholin-4-ylmethyl)octane-1-sulfonamide, N-(Morpholin-4-ylmethyl)perfluorooctane-1-sulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-N-[(morpholin-4-yl)methyl]octane-1-sulfonamide
| Molecular Formula | C13H11F17N2O3S |
| Molecular Weight | 598.0219 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 67.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 10 |
| Exact Mass | 598.0219 Da |
| Heavy Atoms | 36 |
| Complexity | 890.0 |
| SMILES | C1COCCN1CNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | CJNRUHMUZKESGH-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(morpholin-4-ylmethyl)octane-1-sulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(morpholin-4-ylmethyl)octane-1-sulfonamide. Following Lipinski's Rule of Five, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(morpholin-4-ylmethyl)octane-1-sulfonamide has 1 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(morpholin-4-ylmethyl)octane-1-sulfonamide is 100221-83-8.
The molecular formula of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(morpholin-4-ylmethyl)octane-1-sulfonamide is C13H11F17N2O3S.
The molecular weight of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(morpholin-4-ylmethyl)octane-1-sulfonamide is 598.0219 g/mol.
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