TL;DR: 1-((3-Chlorophenyl)sulfonamido)cyclohexane-1-carboxylic acid (CAS 104934-50-1) is a chemical compound with molecular formula C13H16ClNO4S and molecular weight 317.04886 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(3-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
Also Known As: poly(3-hexylthiophene-2,5-diyl), 1-((3-chlorophenyl)sulfonamido)cyclohexane-1-carboxylic acid, 3-(3-CHLROPHENLSULFONYLAMIN 1G., P801, 3-(3-CHLROPHENLSULFONYLA 250MG.
| Molecular Formula | C13H16ClNO4S |
| Molecular Weight | 317.04886 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.04886 Da |
| Heavy Atoms | 20 |
| Complexity | 453.0 |
| SMILES | C1CCC(CC1)(C(=O)O)NS(=O)(=O)C2=CC(=CC=C2)Cl |
| InChIKey | HYEVABCQNVUEMJ-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((3-Chlorophenyl)sulfonamido)cyclohexane-1-carboxylic acid. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((3-Chlorophenyl)sulfonamido)cyclohexane-1-carboxylic acid. Following Lipinski's Rule of Five, 1-((3-Chlorophenyl)sulfonamido)cyclohexane-1-carboxylic acid 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 1-((3-Chlorophenyl)sulfonamido)cyclohexane-1-carboxylic acid is 104934-50-1.
The molecular formula of 1-((3-Chlorophenyl)sulfonamido)cyclohexane-1-carboxylic acid is C13H16ClNO4S.
The molecular weight of 1-((3-Chlorophenyl)sulfonamido)cyclohexane-1-carboxylic acid is 317.04886 g/mol.
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