TL;DR: 2-Thiophenecarboxylic acid, 3-((methylphenylamino)sulfonyl)- (CAS 140947-39-3) is a chemical compound with molecular formula C12H11NO4S2 and molecular weight 297.01294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylic acid
Also Known As: 2-Thiophenecarboxylicacid,3-( -, 2-Thiophenecarboxylic acid, 3-((methylphenylamino)sulfonyl)-, 3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylic acid, 3-((Methylphenylamino)sulfonyl)-2-thiophenecarboxylic acid, BB 0248318
| Molecular Formula | C12H11NO4S2 |
| Molecular Weight | 297.01294 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.01294 Da |
| Heavy Atoms | 19 |
| Complexity | 426.0 |
| SMILES | CN(C1=CC=CC=C1)S(=O)(=O)C2=C(SC=C2)C(=O)O |
| InChIKey | QKNGXYXWCKMHSO-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiophenecarboxylic acid, 3-((methylphenylamino)sulfonyl)-. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Thiophenecarboxylic acid, 3-((methylphenylamino)sulfonyl)-. Following Lipinski's Rule of Five, 2-Thiophenecarboxylic acid, 3-((methylphenylamino)sulfonyl)- has 1 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 2-Thiophenecarboxylic acid, 3-((methylphenylamino)sulfonyl)- is 140947-39-3.
The molecular formula of 2-Thiophenecarboxylic acid, 3-((methylphenylamino)sulfonyl)- is C12H11NO4S2.
The molecular weight of 2-Thiophenecarboxylic acid, 3-((methylphenylamino)sulfonyl)- is 297.01294 g/mol.
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