![3-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide structure](/static/products/3124/312-49-2.webp)
3-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
TL;DR: 3-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (CAS 312-49-2) is a chemical compound with molecular formula C13H9F3N2O4S and molecular weight 346.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
Also Known As: 3-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide, 3-nitro-N-[4-(trifluoromethyl)phenyl]benzene-1-sulfonamide, 3-nitro-N-(4-(trifluoromethyl)phenyl)benzenesulfonamide, J1.858.958C, N-[4-(Trifluoromethyl)phenyl]-3-nitrobenzenesulfonamide
| Molecular Formula | C13H9F3N2O4S |
|---|---|
| Molecular Weight | 346.02 g/mol |
| LogP | 3.4144 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.0235 |
| Heavy Atoms | 23 |
| Complexity | 833.0433 |
Chemical Identifiers
| CAS Number | 312-49-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
Product Overview
3-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (CAS 312-49-2), with molecular formula C13H9F3N2O4S and molecular weight 346.02 g/mol. IUPAC: 3-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.
Chemical Property Profile of 3-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
Property Insights of 3-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
The XLogP value of 3.4144 indicates that 3-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide. Following Lipinski's Rule of Five, 3-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide has 1 hydrogen bond donor(s) and 4 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 3-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The CAS number of 3-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is 312-49-2.
What is the molecular formula of 3-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The molecular formula of 3-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is C13H9F3N2O4S.
What is the molecular weight of 3-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The molecular weight of 3-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is 346.02 g/mol.
Where can I buy 3-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
You can request a quote for 3-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.