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N~1~-[3-(Trifluoromethyl)phenyl]benzene-1,3-disulfonamide
TL;DR: N~1~-[3-(Trifluoromethyl)phenyl]benzene-1,3-disulfonamide (CAS 744-57-0) is a chemical compound with molecular formula C13H11F3N2O4S2 and molecular weight 380.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
Also Known As: N~1~-[3-(Trifluoromethyl)phenyl]benzene-1,3-disulfonamide, 3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide, 3-Sulfamoyl-benzol-sulfonsaeure-(1)-(3-trifluormethyl-anilid
| Molecular Formula | C13H11F3N2O4S2 |
|---|---|
| Molecular Weight | 380.01 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.01123 |
| Heavy Atoms | 24 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 744-57-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N)C(F)(F)F |
| InChIKey | BLZBYEHTMPRNTG-UHFFFAOYSA-N |
Product Overview
N~1~-[3-(Trifluoromethyl)phenyl]benzene-1,3-disulfonamide (CAS 744-57-0), with molecular formula C13H11F3N2O4S2 and molecular weight 380.01 g/mol. IUPAC: 3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide.
Chemical Property Profile of N~1~-[3-(Trifluoromethyl)phenyl]benzene-1,3-disulfonamide
Property Insights of N~1~-[3-(Trifluoromethyl)phenyl]benzene-1,3-disulfonamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~1~-[3-(Trifluoromethyl)phenyl]benzene-1,3-disulfonamide. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N~1~-[3-(Trifluoromethyl)phenyl]benzene-1,3-disulfonamide. Following Lipinski's Rule of Five, N~1~-[3-(Trifluoromethyl)phenyl]benzene-1,3-disulfonamide has 2 hydrogen bond donor(s) and 9 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~1~-[3-(Trifluoromethyl)phenyl]benzene-1,3-disulfonamide?
The CAS number of N~1~-[3-(Trifluoromethyl)phenyl]benzene-1,3-disulfonamide is 744-57-0.
What is the molecular formula of N~1~-[3-(Trifluoromethyl)phenyl]benzene-1,3-disulfonamide?
The molecular formula of N~1~-[3-(Trifluoromethyl)phenyl]benzene-1,3-disulfonamide is C13H11F3N2O4S2.
What is the molecular weight of N~1~-[3-(Trifluoromethyl)phenyl]benzene-1,3-disulfonamide?
The molecular weight of N~1~-[3-(Trifluoromethyl)phenyl]benzene-1,3-disulfonamide is 380.01 g/mol.
Where can I buy N~1~-[3-(Trifluoromethyl)phenyl]benzene-1,3-disulfonamide?
You can request a quote for N~1~-[3-(Trifluoromethyl)phenyl]benzene-1,3-disulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~1~-[3-(Trifluoromethyl)phenyl]benzene-1,3-disulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N~1~-[3-(Trifluoromethyl)phenyl]benzene-1,3-disulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.