N-methyl-2'-nitro-p-toluenesulfonanilide
TL;DR: N-methyl-2'-nitro-p-toluenesulfonanilide (CAS 62956-47-2) is a chemical compound with molecular formula C14H14N2O4S and molecular weight 306.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,4-dimethyl-N-(2-nitrophenyl)benzenesulfonamide
Also Known As: Gomisin F, N-methyl-2'-nitro-p-toluenesulfonanilide, n,4-dimethyl-n-(2-nitrophenyl)benzenesulfonamide, J1.415.813H, N,4-dimethyl-N-(2-nitrophenyl)benzene-1-sulfonamide
| Molecular Formula | C14H14N2O4S |
|---|---|
| Molecular Weight | 306.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.0674 |
| Heavy Atoms | 21 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 62956-47-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | HCEKZXBXGWJIFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-methyl-2'-nitro-p-toluenesulfonanilide (CAS 62956-47-2), with molecular formula C14H14N2O4S and molecular weight 306.07 g/mol. IUPAC: N,4-dimethyl-N-(2-nitrophenyl)benzenesulfonamide.
Chemical Property Profile of N-methyl-2'-nitro-p-toluenesulfonanilide
Property Insights of N-methyl-2'-nitro-p-toluenesulfonanilide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-2'-nitro-p-toluenesulfonanilide. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-methyl-2'-nitro-p-toluenesulfonanilide. Following Lipinski's Rule of Five, N-methyl-2'-nitro-p-toluenesulfonanilide has 0 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 N-methyl-2'-nitro-p-toluenesulfonanilide?
The CAS number of N-methyl-2'-nitro-p-toluenesulfonanilide is 62956-47-2.
What is the molecular formula of N-methyl-2'-nitro-p-toluenesulfonanilide?
The molecular formula of N-methyl-2'-nitro-p-toluenesulfonanilide is C14H14N2O4S.
What is the molecular weight of N-methyl-2'-nitro-p-toluenesulfonanilide?
The molecular weight of N-methyl-2'-nitro-p-toluenesulfonanilide is 306.07 g/mol.
Where can I buy N-methyl-2'-nitro-p-toluenesulfonanilide?
You can request a quote for N-methyl-2'-nitro-p-toluenesulfonanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-2'-nitro-p-toluenesulfonanilide?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-2'-nitro-p-toluenesulfonanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.