TL;DR: 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[(4-sulfamoylphenyl)methyl]heptanamide (CAS 165618-99-5) is a chemical compound with molecular formula C14H9F13N2O3S and molecular weight 532.01263 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[(4-sulfamoylphenyl)methyl]heptanamide
Also Known As: 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[(4-sulfamoylphenyl)methyl]heptanamide, N-(4-Sulfamoylbenzyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide, N-[4-(Aminosulfonyl)benzyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
| Molecular Formula | C14H9F13N2O3S |
| Molecular Weight | 532.01263 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 97.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 532.01263 Da |
| Heavy Atoms | 33 |
| Complexity | 828.0 |
| SMILES | C1=CC(=CC=C1CNC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N |
| InChIKey | CWSCAZHIVRUESE-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[(4-sulfamoylphenyl)methyl]heptanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[(4-sulfamoylphenyl)methyl]heptanamide. Following Lipinski's Rule of Five, 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[(4-sulfamoylphenyl)methyl]heptanamide has 2 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[(4-sulfamoylphenyl)methyl]heptanamide is 165618-99-5.
The molecular formula of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[(4-sulfamoylphenyl)methyl]heptanamide is C14H9F13N2O3S.
The molecular weight of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[(4-sulfamoylphenyl)methyl]heptanamide is 532.01263 g/mol.
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