2-Methyl-5-nitrobenzene-1-sulfonamide
TL;DR: 2-Methyl-5-nitrobenzene-1-sulfonamide (CAS 6771-77-3) is a chemical compound with molecular formula C7H8N2O4S and molecular weight 216.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-nitrobenzenesulfonamide
Also Known As: 2-methyl-5-nitrobenzenesulfonamide, p-Nitrotoluolsulfamid, Pazopanib Impurity 4, 2-methyl-5-nitrobenzene-1-sulfonamide, 2-NONENOICACID
| Molecular Formula | C7H8N2O4S |
|---|---|
| Molecular Weight | 216.02 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.02048 |
| Heavy Atoms | 14 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 6771-77-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N |
| InChIKey | CLXWMMGXFSZUNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-5-nitrobenzene-1-sulfonamide (CAS 6771-77-3), with molecular formula C7H8N2O4S and molecular weight 216.02 g/mol. IUPAC: 2-methyl-5-nitrobenzenesulfonamide.
Chemical Property Profile of 2-Methyl-5-nitrobenzene-1-sulfonamide
Property Insights of 2-Methyl-5-nitrobenzene-1-sulfonamide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-nitrobenzene-1-sulfonamide. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-5-nitrobenzene-1-sulfonamide. Following Lipinski's Rule of Five, 2-Methyl-5-nitrobenzene-1-sulfonamide has 1 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 2-Methyl-5-nitrobenzene-1-sulfonamide?
The CAS number of 2-Methyl-5-nitrobenzene-1-sulfonamide is 6771-77-3.
What is the molecular formula of 2-Methyl-5-nitrobenzene-1-sulfonamide?
The molecular formula of 2-Methyl-5-nitrobenzene-1-sulfonamide is C7H8N2O4S.
What is the molecular weight of 2-Methyl-5-nitrobenzene-1-sulfonamide?
The molecular weight of 2-Methyl-5-nitrobenzene-1-sulfonamide is 216.02 g/mol.
Where can I buy 2-Methyl-5-nitrobenzene-1-sulfonamide?
You can request a quote for 2-Methyl-5-nitrobenzene-1-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-nitrobenzene-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-nitrobenzene-1-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.