5-(Trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide
TL;DR: 5-(Trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide (CAS 144462-46-4) is a chemical compound with molecular formula C3H3F3N4O4S3 and molecular weight 311.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide
Also Known As: NCI60_036195, 5-(trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide, J1.446.083G, 5-(trifluoromethanesulfonamido)-1,3,4-thiadiazole-2-sulfonamide, 1,3,4-Thiadiazole-2-sulfonamide, 5-[[(trifluoromethyl)sulfonyl]amino]-
| Molecular Formula | C3H3F3N4O4S3 |
|---|---|
| Molecular Weight | 311.93 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.92685 |
| Heavy Atoms | 17 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 144462-46-4 |
|---|---|
| SMILES | C1(=NN=C(S1)S(=O)(=O)N)NS(=O)(=O)C(F)(F)F |
| InChIKey | JHGJJWFACYMJQC-UHFFFAOYSA-N |
Product Overview
5-(Trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide (CAS 144462-46-4), with molecular formula C3H3F3N4O4S3 and molecular weight 311.93 g/mol. IUPAC: 5-(trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide.
Chemical Property Profile of 5-(Trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide
Property Insights of 5-(Trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide. The TPSA of 177.0 Ų indicates high polarity, suggesting 5-(Trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(Trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(Trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide?
The CAS number of 5-(Trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide is 144462-46-4.
What is the molecular formula of 5-(Trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide?
The molecular formula of 5-(Trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide is C3H3F3N4O4S3.
What is the molecular weight of 5-(Trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide?
The molecular weight of 5-(Trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide is 311.93 g/mol.
Where can I buy 5-(Trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide?
You can request a quote for 5-(Trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 5-(Trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.