5-Methyl-N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
TL;DR: 5-Methyl-N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide (CAS 331958-03-3) is a chemical compound with molecular formula C14H13N3O2S2 and molecular weight 319.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
Also Known As: TimTec1_005862, 5-Methyl-N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide, A2405/0101899, 5-Methyl-benzo[1,2,5]thiadiazole-4-sulfonic acid p-tolylamide, 2,1,3-Benzothiadiazole-4-sulfonamide, 5-methyl-N-(4-methylphenyl)-
| Molecular Formula | C14H13N3O2S2 |
|---|---|
| Molecular Weight | 319.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.04492 |
| Heavy Atoms | 21 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 331958-03-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC3=NSN=C32)C |
| InChIKey | HCHHWKIDOQUWSZ-UHFFFAOYSA-N |
Product Overview
5-Methyl-N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide (CAS 331958-03-3), with molecular formula C14H13N3O2S2 and molecular weight 319.04 g/mol. IUPAC: 5-methyl-N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide.
Chemical Property Profile of 5-Methyl-N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
Property Insights of 5-Methyl-N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
The XLogP value of 3.0 indicates that 5-Methyl-N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide. Following Lipinski's Rule of Five, 5-Methyl-N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide has 1 hydrogen bond donor(s) and 6 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 5-Methyl-N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The CAS number of 5-Methyl-N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide is 331958-03-3.
What is the molecular formula of 5-Methyl-N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The molecular formula of 5-Methyl-N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide is C14H13N3O2S2.
What is the molecular weight of 5-Methyl-N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The molecular weight of 5-Methyl-N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide is 319.04 g/mol.
Where can I buy 5-Methyl-N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
You can request a quote for 5-Methyl-N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.