氟磺酰胺
TL;DR: 氟磺酰胺 (CAS 106917-52-6) is a chemical compound with molecular formula C13H7Cl2F3N2O4S and molecular weight 413.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氟磺酰胺
4-chloro-N-(2-chloro-4-nitrophenyl)-3-(trifluoromethyl)benzenesulfonamide
Also Known As: Flusulfamide, Nebijin, Flusulfamide [ISO], MTF 651, 4-Chloro-N-(2-chloro-4-nitrophenyl)-3-(trifluoromethyl)benzenesulfonamide
| Molecular Formula | C13H7Cl2F3N2O4S |
|---|---|
| Molecular Weight | 413.95 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.94556 |
| Heavy Atoms | 25 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 106917-52-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F |
| InChIKey | GNVDAZSPJWCIQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氟磺酰胺 (CAS 106917-52-6), with molecular formula C13H7Cl2F3N2O4S and molecular weight 413.95 g/mol. IUPAC: 4-chloro-N-(2-chloro-4-nitrophenyl)-3-(trifluoromethyl)benzenesulfonamide.
Chemical Property Profile of 氟磺酰胺
Property Insights of 氟磺酰胺
The XLogP value of 4.4 indicates that 氟磺酰胺 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 氟磺酰胺. Following Lipinski's Rule of Five, 氟磺酰胺 has 1 hydrogen bond donor(s) and 8 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 氟磺酰胺?
The CAS number of 氟磺酰胺 is 106917-52-6.
What is the molecular formula of 氟磺酰胺?
The molecular formula of 氟磺酰胺 is C13H7Cl2F3N2O4S.
What is the molecular weight of 氟磺酰胺?
The molecular weight of 氟磺酰胺 is 413.95 g/mol.
Where can I buy 氟磺酰胺?
You can request a quote for 氟磺酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氟磺酰胺?
Yes, KEHONG BIO provides custom synthesis services for 氟磺酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.