4-Methyl-3-(2-phenylethenesulfonamido)benzoic acid
TL;DR: 4-Methyl-3-(2-phenylethenesulfonamido)benzoic acid (CAS 1088180-83-9) is a chemical compound with molecular formula C16H15NO4S and molecular weight 317.07217 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-3-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid
Also Known As: 4-methyl-3-(2-phenylethenesulfonamido)benzoic acid, 4-methyl-3-[[(E)-2-phenylethenyl]sulfonylamino]benzoic Acid
Technical Specifications
| Molecular Formula | C16H15NO4S |
| Molecular Weight | 317.07217 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.07217 Da |
| Heavy Atoms | 22 |
| Complexity | 503.0 |
| SMILES | CC1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)/C=C/C2=CC=CC=C2 |
| InChIKey | SWHMDHHMWBLEOZ-MDZDMXLPSA-N |
Chemical Property Profile of 4-Methyl-3-(2-phenylethenesulfonamido)benzoic acid
Property Insights of 4-Methyl-3-(2-phenylethenesulfonamido)benzoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-3-(2-phenylethenesulfonamido)benzoic acid. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-3-(2-phenylethenesulfonamido)benzoic acid. Following Lipinski's Rule of Five, 4-Methyl-3-(2-phenylethenesulfonamido)benzoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Methyl-3-(2-phenylethenesulfonamido)benzoic acid?
The CAS number of 4-Methyl-3-(2-phenylethenesulfonamido)benzoic acid is 1088180-83-9.
What is the molecular formula of 4-Methyl-3-(2-phenylethenesulfonamido)benzoic acid?
The molecular formula of 4-Methyl-3-(2-phenylethenesulfonamido)benzoic acid is C16H15NO4S.
What is the molecular weight of 4-Methyl-3-(2-phenylethenesulfonamido)benzoic acid?
The molecular weight of 4-Methyl-3-(2-phenylethenesulfonamido)benzoic acid is 317.07217 g/mol.
Where can I buy 4-Methyl-3-(2-phenylethenesulfonamido)benzoic acid?
You can request a quote for 4-Methyl-3-(2-phenylethenesulfonamido)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methyl-3-(2-phenylethenesulfonamido)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Methyl-3-(2-phenylethenesulfonamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.