![N-[3,5-bis(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide structure](/static/products/5875/587-57-5.webp)
N-[3,5-bis(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide
TL;DR: N-[3,5-bis(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide (CAS 587-57-5) is a chemical compound with molecular formula C14H8F6N2O4S and molecular weight 414.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3,5-bis(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide
Also Known As: N-[3,5-bis(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide, N-(3,5-Bis(trifluoromethyl)phenyl) 4-nitrobenzenesulfonamide, 4-Nitro-benzolsulfonsaeure-(3,5-bis-trifluormethyl-anilid), [3,5-bis(trifluoromethyl)phenyl][(4-nitrophenyl)sulfonyl]amine, N-(3,5-bis-(Trifluoromethyl)phenyl) 4-nitrobenzenesulfonamide
| Molecular Formula | C14H8F6N2O4S |
|---|---|
| Molecular Weight | 414.01 g/mol |
| LogP | 4.4332 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.0109 |
| Heavy Atoms | 27 |
| Complexity | 936.3325 |
Chemical Identifiers
| CAS Number | 587-57-5 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F |
Product Overview
N-[3,5-bis(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide (CAS 587-57-5), with molecular formula C14H8F6N2O4S and molecular weight 414.01 g/mol. IUPAC: N-[3,5-bis(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide.
Chemical Property Profile of N-[3,5-bis(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide
Property Insights of N-[3,5-bis(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide
The XLogP value of 4.4332 indicates that N-[3,5-bis(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide 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 N-[3,5-bis(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-[3,5-bis(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide 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 N-[3,5-bis(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide?
The CAS number of N-[3,5-bis(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide is 587-57-5.
What is the molecular formula of N-[3,5-bis(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide?
The molecular formula of N-[3,5-bis(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide is C14H8F6N2O4S.
What is the molecular weight of N-[3,5-bis(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide?
The molecular weight of N-[3,5-bis(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide is 414.01 g/mol.
Where can I buy N-[3,5-bis(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide?
You can request a quote for N-[3,5-bis(trifluoromethyl)phenyl]-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-[3,5-bis(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3,5-bis(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.