TL;DR: 4-[({[4-(Acetylamino)phenyl]sulfonyl}amino)methyl]cyclohexanecarboxylic acid (CAS 1212419-02-7) is a chemical compound with molecular formula C16H22N2O5S and molecular weight 354.12494 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[(4-acetamidophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
Also Known As: 4-[({[4-(acetylamino)phenyl]sulfonyl}amino)methyl]cyclohexanecarboxylic acid, BAS 02235556, SDCCGSBI-0660189.P001, (1r,4r)-4-((4-acetamidophenylsulfonamido)methyl)cyclohexanecarboxylic acid, 4-(((4-Acetamidophenyl)sulfonamido)methyl)cyclohexane-1-carboxylic acid
| Molecular Formula | C16H22N2O5S |
| Molecular Weight | 354.12494 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.12494 Da |
| Heavy Atoms | 24 |
| Complexity | 541.0 |
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)O |
| InChIKey | NCCWJIKLDMTYLD-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[({[4-(Acetylamino)phenyl]sulfonyl}amino)methyl]cyclohexanecarboxylic acid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[({[4-(Acetylamino)phenyl]sulfonyl}amino)methyl]cyclohexanecarboxylic acid. Following Lipinski's Rule of Five, 4-[({[4-(Acetylamino)phenyl]sulfonyl}amino)methyl]cyclohexanecarboxylic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-[({[4-(Acetylamino)phenyl]sulfonyl}amino)methyl]cyclohexanecarboxylic acid is 1212419-02-7.
The molecular formula of 4-[({[4-(Acetylamino)phenyl]sulfonyl}amino)methyl]cyclohexanecarboxylic acid is C16H22N2O5S.
The molecular weight of 4-[({[4-(Acetylamino)phenyl]sulfonyl}amino)methyl]cyclohexanecarboxylic acid is 354.12494 g/mol.
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