TL;DR: 5-[(Furan-2-ylmethyl)sulfamoyl]-2-methylbenzoic acid (CAS 1209349-13-2) is a chemical compound with molecular formula C13H13NO5S and molecular weight 295.05145 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoic acid
Also Known As: 5-[(furan-2-ylmethyl)sulfamoyl]-2-methylbenzoic acid, 5-{[(furan-2-yl)methyl]sulfamoyl}-2-methylbenzoic acid, 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoic acid, 5-{[(2-furylmethyl)amino]sulfonyl}-2-methylbenzoic acid, 5-(2-furylmethylsulfamoyl)-2-methyl-benzoic Acid
| Molecular Formula | C13H13NO5S |
| Molecular Weight | 295.05145 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.05145 Da |
| Heavy Atoms | 20 |
| Complexity | 444.0 |
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CO2)C(=O)O |
| InChIKey | KFEKRAITVQJBTK-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(Furan-2-ylmethyl)sulfamoyl]-2-methylbenzoic acid. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(Furan-2-ylmethyl)sulfamoyl]-2-methylbenzoic acid. Following Lipinski's Rule of Five, 5-[(Furan-2-ylmethyl)sulfamoyl]-2-methylbenzoic acid has 2 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 5-[(Furan-2-ylmethyl)sulfamoyl]-2-methylbenzoic acid is 1209349-13-2.
The molecular formula of 5-[(Furan-2-ylmethyl)sulfamoyl]-2-methylbenzoic acid is C13H13NO5S.
The molecular weight of 5-[(Furan-2-ylmethyl)sulfamoyl]-2-methylbenzoic acid is 295.05145 g/mol.
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