n-(4-Methyl-2-nitrophenyl)benzenesulfonamide
TL;DR: n-(4-Methyl-2-nitrophenyl)benzenesulfonamide (CAS 96-00-4) 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.
N-(4-methyl-2-nitrophenyl)benzenesulfonamide
Also Known As: n-(4-methyl-2-nitrophenyl)benzenesulfonamide, (4-methyl-2-nitrophenyl)(phenylsulfonyl)amine, Benzenesulfonamide, N-(4-methyl-2-nitrophenyl)-, N-(4-METHYL-2-NITROPHENYL)-1-BENZENESULFONAMIDE, Cambridge id 5343456
| Molecular Formula | C13H12N2O4S |
|---|---|
| Molecular Weight | 292.05 g/mol |
| LogP | 3.2 |
| 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 | 96-00-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | MJUHDEYUFJKWTI-UHFFFAOYSA-N |
Product Overview
n-(4-Methyl-2-nitrophenyl)benzenesulfonamide (CAS 96-00-4), with molecular formula C13H12N2O4S and molecular weight 292.05 g/mol. IUPAC: N-(4-methyl-2-nitrophenyl)benzenesulfonamide.
Chemical Property Profile of n-(4-Methyl-2-nitrophenyl)benzenesulfonamide
Property Insights of n-(4-Methyl-2-nitrophenyl)benzenesulfonamide
The XLogP value of 3.2 indicates that n-(4-Methyl-2-nitrophenyl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for n-(4-Methyl-2-nitrophenyl)benzenesulfonamide. Following Lipinski's Rule of Five, n-(4-Methyl-2-nitrophenyl)benzenesulfonamide 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-(4-Methyl-2-nitrophenyl)benzenesulfonamide?
The CAS number of n-(4-Methyl-2-nitrophenyl)benzenesulfonamide is 96-00-4.
What is the molecular formula of n-(4-Methyl-2-nitrophenyl)benzenesulfonamide?
The molecular formula of n-(4-Methyl-2-nitrophenyl)benzenesulfonamide is C13H12N2O4S.
What is the molecular weight of n-(4-Methyl-2-nitrophenyl)benzenesulfonamide?
The molecular weight of n-(4-Methyl-2-nitrophenyl)benzenesulfonamide is 292.05 g/mol.
Where can I buy n-(4-Methyl-2-nitrophenyl)benzenesulfonamide?
You can request a quote for n-(4-Methyl-2-nitrophenyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-(4-Methyl-2-nitrophenyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for n-(4-Methyl-2-nitrophenyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.