N-(1,3-benzothiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide
TL;DR: N-(1,3-benzothiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide (CAS 325851-01-2) is a chemical compound with molecular formula C16H16N2O2S2 and molecular weight 332.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide
Also Known As: BAS 00627719, N-(1,3-benzothiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide, benzothiazol-2-yl[(2,4,6-trimethylphenyl)sulfonyl]amine, N-Benzothiazol-2-yl-2,4,6-trimethyl-benzenesulfonamide, N-(1,3-BENZOTHIAZOL-2-YL)-2,4,6-TRIMETHYL-1-BENZENESULFONAMIDE
| Molecular Formula | C16H16N2O2S2 |
|---|---|
| Molecular Weight | 332.07 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.0653 |
| Heavy Atoms | 22 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 325851-01-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=NC3=CC=CC=C3S2)C |
| InChIKey | IASOPMYEJWEQJT-UHFFFAOYSA-N |
Product Overview
N-(1,3-benzothiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide (CAS 325851-01-2), with molecular formula C16H16N2O2S2 and molecular weight 332.07 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide.
Chemical Property Profile of N-(1,3-benzothiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide
Property Insights of N-(1,3-benzothiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide
The XLogP value of 4.3 indicates that N-(1,3-benzothiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzothiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide has 1 hydrogen bond donor(s) and 5 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-benzothiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide?
The CAS number of N-(1,3-benzothiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide is 325851-01-2.
What is the molecular formula of N-(1,3-benzothiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide?
The molecular formula of N-(1,3-benzothiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide is C16H16N2O2S2.
What is the molecular weight of N-(1,3-benzothiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide?
The molecular weight of N-(1,3-benzothiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide is 332.07 g/mol.
Where can I buy N-(1,3-benzothiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide?
You can request a quote for N-(1,3-benzothiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide 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-benzothiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzothiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.