Benzenesulfonamide, 2-methyl-5-nitro-N-phenyl-
TL;DR: Benzenesulfonamide, 2-methyl-5-nitro-N-phenyl- (CAS 79-88-9) is a chemical compound with molecular formula C13H12N2O4S and molecular weight 292.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-nitro-N-phenylbenzenesulfonamide
Also Known As: 4-Nitrotoluenesulfanilide, 4-Nitro-N-phenyltoluene-2-sulphonamide, 2-methyl-5-nitro-N-phenylbenzenesulfonamide, 4-Nitrotoluene-2-sulfoanilide, Benzenesulfonamide, 2-methyl-5-nitro-N-phenyl-
| Molecular Formula | C13H12N2O4S |
|---|---|
| Molecular Weight | 292.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.0518 |
| Heavy Atoms | 20 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 79-88-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC=C2 |
| InChIKey | YBHDHKAUAAYLDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonamide, 2-methyl-5-nitro-N-phenyl- (CAS 79-88-9), with molecular formula C13H12N2O4S and molecular weight 292.05 g/mol. IUPAC: 2-methyl-5-nitro-N-phenylbenzenesulfonamide.
Chemical Property Profile of Benzenesulfonamide, 2-methyl-5-nitro-N-phenyl-
Property Insights of Benzenesulfonamide, 2-methyl-5-nitro-N-phenyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonamide, 2-methyl-5-nitro-N-phenyl-. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonamide, 2-methyl-5-nitro-N-phenyl-. Following Lipinski's Rule of Five, Benzenesulfonamide, 2-methyl-5-nitro-N-phenyl- 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 Benzenesulfonamide, 2-methyl-5-nitro-N-phenyl-?
The CAS number of Benzenesulfonamide, 2-methyl-5-nitro-N-phenyl- is 79-88-9.
What is the molecular formula of Benzenesulfonamide, 2-methyl-5-nitro-N-phenyl-?
The molecular formula of Benzenesulfonamide, 2-methyl-5-nitro-N-phenyl- is C13H12N2O4S.
What is the molecular weight of Benzenesulfonamide, 2-methyl-5-nitro-N-phenyl-?
The molecular weight of Benzenesulfonamide, 2-methyl-5-nitro-N-phenyl- is 292.05 g/mol.
Where can I buy Benzenesulfonamide, 2-methyl-5-nitro-N-phenyl-?
You can request a quote for Benzenesulfonamide, 2-methyl-5-nitro-N-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonamide, 2-methyl-5-nitro-N-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonamide, 2-methyl-5-nitro-N-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.