3-(2-Methyl-5-nitrobenzenesulfonamido)benzoic acid
TL;DR: 3-(2-Methyl-5-nitrobenzenesulfonamido)benzoic acid (CAS 414906-61-9) is a chemical compound with molecular formula C14H12N2O6S and molecular weight 336.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methyl-5-nitrophenyl)sulfonylamino]benzoic acid
Also Known As: 3-(2-methyl-5-nitrobenzenesulfonamido)benzoic acid, 3-(2-methyl-5-nitrophenylsulfonamido)benzoic acid, 3-[(2-methyl-5-nitrophenyl)sulfonylamino]benzoic acid, 3-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzoic Acid, 3-{[(2-methyl-5-nitrophenyl)sulfonyl]amino}benzoic acid
| Molecular Formula | C14H12N2O6S |
|---|---|
| Molecular Weight | 336.04 g/mol |
| LogP | 2.40222 |
| Topological Polar Surface Area | 126.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.0416 |
| Heavy Atoms | 23 |
| Complexity | 891.89056 |
Chemical Identifiers
| CAS Number | 414906-61-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C(=O)O |
Product Overview
3-(2-Methyl-5-nitrobenzenesulfonamido)benzoic acid (CAS 414906-61-9), with molecular formula C14H12N2O6S and molecular weight 336.04 g/mol. IUPAC: 3-[(2-methyl-5-nitrophenyl)sulfonylamino]benzoic acid.
Chemical Property Profile of 3-(2-Methyl-5-nitrobenzenesulfonamido)benzoic acid
Property Insights of 3-(2-Methyl-5-nitrobenzenesulfonamido)benzoic acid
The XLogP value of 2.40222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Methyl-5-nitrobenzenesulfonamido)benzoic acid. The TPSA of 126.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Methyl-5-nitrobenzenesulfonamido)benzoic acid. Following Lipinski's Rule of Five, 3-(2-Methyl-5-nitrobenzenesulfonamido)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
Frequently Asked Questions
What is the CAS number of 3-(2-Methyl-5-nitrobenzenesulfonamido)benzoic acid?
The CAS number of 3-(2-Methyl-5-nitrobenzenesulfonamido)benzoic acid is 414906-61-9.
What is the molecular formula of 3-(2-Methyl-5-nitrobenzenesulfonamido)benzoic acid?
The molecular formula of 3-(2-Methyl-5-nitrobenzenesulfonamido)benzoic acid is C14H12N2O6S.
What is the molecular weight of 3-(2-Methyl-5-nitrobenzenesulfonamido)benzoic acid?
The molecular weight of 3-(2-Methyl-5-nitrobenzenesulfonamido)benzoic acid is 336.04 g/mol.
Where can I buy 3-(2-Methyl-5-nitrobenzenesulfonamido)benzoic acid?
You can request a quote for 3-(2-Methyl-5-nitrobenzenesulfonamido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Methyl-5-nitrobenzenesulfonamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Methyl-5-nitrobenzenesulfonamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.