TL;DR: N-({1-[(4-fluorophenyl)sulfonyl]piperidin-4-yl}carbonyl)-L-leucine (CAS 1212333-39-5) is a chemical compound with molecular formula C18H25FN2O5S and molecular weight 400.14682 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methylpentanoic acid
Also Known As: N-({1-[(4-fluorophenyl)sulfonyl]piperidin-4-yl}carbonyl)-L-leucine, (2S)-2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methyl-pentanoic Acid, (2S)-2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methylpentanoic acid, (S)-2-(1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxamido)-4-methylpentanoic acid
| Molecular Formula | C18H25FN2O5S |
| Molecular Weight | 400.14682 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.14682 Da |
| Heavy Atoms | 27 |
| Complexity | 618.0 |
| SMILES | CC(C)C[C@@H](C(=O)O)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F |
| InChIKey | GUHVCALUTQNUBR-INIZCTEOSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-({1-[(4-fluorophenyl)sulfonyl]piperidin-4-yl}carbonyl)-L-leucine. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-({1-[(4-fluorophenyl)sulfonyl]piperidin-4-yl}carbonyl)-L-leucine. Following Lipinski's Rule of Five, N-({1-[(4-fluorophenyl)sulfonyl]piperidin-4-yl}carbonyl)-L-leucine has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-({1-[(4-fluorophenyl)sulfonyl]piperidin-4-yl}carbonyl)-L-leucine is 1212333-39-5.
The molecular formula of N-({1-[(4-fluorophenyl)sulfonyl]piperidin-4-yl}carbonyl)-L-leucine is C18H25FN2O5S.
The molecular weight of N-({1-[(4-fluorophenyl)sulfonyl]piperidin-4-yl}carbonyl)-L-leucine is 400.14682 g/mol.
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