N-(2-cyanoethyl)-N-(4-methoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
TL;DR: N-(2-cyanoethyl)-N-(4-methoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide (CAS 5175-50-8) is a chemical compound with molecular formula C16H14N4O3S2 and molecular weight 374.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanoethyl)-N-(4-methoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
Also Known As: N-(2-cyanoethyl)-N-(4-methoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide, BAS 00318973, AH-034/33492022, N-(2-cyanoethyl)-N-(4-methoxyphenyl)benzo[c][1,2,5]thiadiazole-4-sulfonamide, A0705/0032882
| Molecular Formula | C16H14N4O3S2 |
|---|---|
| Molecular Weight | 374.05 g/mol |
| LogP | 2.80888 |
| Topological Polar Surface Area | 96.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.05072 |
| Heavy Atoms | 25 |
| Complexity | 1023.4645 |
Chemical Identifiers
| CAS Number | 5175-50-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N(CCC#N)S(=O)(=O)C2=CC=CC3=NSN=C32 |
Product Overview
N-(2-cyanoethyl)-N-(4-methoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide (CAS 5175-50-8), with molecular formula C16H14N4O3S2 and molecular weight 374.05 g/mol. IUPAC: N-(2-cyanoethyl)-N-(4-methoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide.
Chemical Property Profile of N-(2-cyanoethyl)-N-(4-methoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
Property Insights of N-(2-cyanoethyl)-N-(4-methoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
The XLogP value of 2.80888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-cyanoethyl)-N-(4-methoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide. The TPSA of 96.18 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-cyanoethyl)-N-(4-methoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide. Following Lipinski's Rule of Five, N-(2-cyanoethyl)-N-(4-methoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide has 0 hydrogen bond donor(s) and 7 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-(2-cyanoethyl)-N-(4-methoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The CAS number of N-(2-cyanoethyl)-N-(4-methoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide is 5175-50-8.
What is the molecular formula of N-(2-cyanoethyl)-N-(4-methoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The molecular formula of N-(2-cyanoethyl)-N-(4-methoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide is C16H14N4O3S2.
What is the molecular weight of N-(2-cyanoethyl)-N-(4-methoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The molecular weight of N-(2-cyanoethyl)-N-(4-methoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide is 374.05 g/mol.
Where can I buy N-(2-cyanoethyl)-N-(4-methoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
You can request a quote for N-(2-cyanoethyl)-N-(4-methoxyphenyl)-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 N-(2-cyanoethyl)-N-(4-methoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-cyanoethyl)-N-(4-methoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.