N-(2,4-dimethylphenyl)-4-nitrobenzenesulfonamide
TL;DR: N-(2,4-dimethylphenyl)-4-nitrobenzenesulfonamide (CAS 111499-33-3) 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-(2,4-dimethylphenyl)-4-nitrobenzenesulfonamide
Also Known As: N-(2,4-dimethylphenyl)-4-nitrobenzenesulfonamide, (2,4-dimethylphenyl)[(4-nitrophenyl)sulfonyl]amine, N-(2,4-Dimethyl-phenyl)-4-nitro-benzenesulfonamide, 4-nitro-benzenesulfonic acid-(2,4-dimethyl-anilide), Benzenesulfonamide, N-(2,4-dimethylphenyl)-4-nitro-
| Molecular Formula | C14H14N2O4S |
|---|---|
| Molecular Weight | 306.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.0674 |
| Heavy Atoms | 21 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 111499-33-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C |
| InChIKey | KGHLCQBOJKOVFX-UHFFFAOYSA-N |
Product Overview
N-(2,4-dimethylphenyl)-4-nitrobenzenesulfonamide (CAS 111499-33-3), with molecular formula C14H14N2O4S and molecular weight 306.07 g/mol. IUPAC: N-(2,4-dimethylphenyl)-4-nitrobenzenesulfonamide.
Chemical Property Profile of N-(2,4-dimethylphenyl)-4-nitrobenzenesulfonamide
Property Insights of N-(2,4-dimethylphenyl)-4-nitrobenzenesulfonamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,4-dimethylphenyl)-4-nitrobenzenesulfonamide. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,4-dimethylphenyl)-4-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-(2,4-dimethylphenyl)-4-nitrobenzenesulfonamide 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 N-(2,4-dimethylphenyl)-4-nitrobenzenesulfonamide?
The CAS number of N-(2,4-dimethylphenyl)-4-nitrobenzenesulfonamide is 111499-33-3.
What is the molecular formula of N-(2,4-dimethylphenyl)-4-nitrobenzenesulfonamide?
The molecular formula of N-(2,4-dimethylphenyl)-4-nitrobenzenesulfonamide is C14H14N2O4S.
What is the molecular weight of N-(2,4-dimethylphenyl)-4-nitrobenzenesulfonamide?
The molecular weight of N-(2,4-dimethylphenyl)-4-nitrobenzenesulfonamide is 306.07 g/mol.
Where can I buy N-(2,4-dimethylphenyl)-4-nitrobenzenesulfonamide?
You can request a quote for N-(2,4-dimethylphenyl)-4-nitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,4-dimethylphenyl)-4-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,4-dimethylphenyl)-4-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.