TL;DR: Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]- (CAS 78521-39-8) is a chemical compound with molecular formula C13H19NO4S and molecular weight 285.1035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[(4-methylphenyl)sulfonylamino]hexanoic acid
Also Known As: 6-(4-Methylphenylsulfonamido)hexanoic acid, 5-Fluoro-1H-indazole, Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]-, Maybridge1_002357, CBChromo1_000075
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H19NO4S |
| Molecular Weight | 285.1035 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 285.1035 Da |
| Heavy Atoms | 19 |
| Complexity | 367.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)O |
| InChIKey | GLKZGJGPYOFPKV-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]-. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]-. Following Lipinski's Rule of Five, Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]- has 2 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 Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]- is 78521-39-8.
The molecular formula of Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]- is C13H19NO4S.
The molecular weight of Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]- is 285.1035 g/mol.
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