N-(3-phenylpropyl)-2,1,3-benzothiadiazole-4-sulfonamide
TL;DR: N-(3-phenylpropyl)-2,1,3-benzothiadiazole-4-sulfonamide (CAS 296800-95-8) is a chemical compound with molecular formula C15H15N3O2S2 and molecular weight 333.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-phenylpropyl)-2,1,3-benzothiadiazole-4-sulfonamide
Also Known As: N-(3-phenylpropyl)-2,1,3-benzothiadiazole-4-sulfonamide, BAS 00318954, A0858/0040201, N-(3-phenylpropyl)benzo[c][1,2,5]thiadiazole-4-sulfonamide, Benzo[1,2,5]thiadiazole-4-sulfonic acid (3-phenyl-propyl)-amide
| Molecular Formula | C15H15N3O2S2 |
|---|---|
| Molecular Weight | 333.06 g/mol |
| LogP | 2.6024 |
| Topological Polar Surface Area | 71.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.06058 |
| Heavy Atoms | 22 |
| Complexity | 860.63965 |
Chemical Identifiers
| CAS Number | 296800-95-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCNS(=O)(=O)C2=CC=CC3=NSN=C32 |
Product Overview
N-(3-phenylpropyl)-2,1,3-benzothiadiazole-4-sulfonamide (CAS 296800-95-8), with molecular formula C15H15N3O2S2 and molecular weight 333.06 g/mol. IUPAC: N-(3-phenylpropyl)-2,1,3-benzothiadiazole-4-sulfonamide.
Chemical Property Profile of N-(3-phenylpropyl)-2,1,3-benzothiadiazole-4-sulfonamide
Property Insights of N-(3-phenylpropyl)-2,1,3-benzothiadiazole-4-sulfonamide
The XLogP value of 2.6024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-phenylpropyl)-2,1,3-benzothiadiazole-4-sulfonamide. The TPSA of 71.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-phenylpropyl)-2,1,3-benzothiadiazole-4-sulfonamide. Following Lipinski's Rule of Five, N-(3-phenylpropyl)-2,1,3-benzothiadiazole-4-sulfonamide 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-(3-phenylpropyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The CAS number of N-(3-phenylpropyl)-2,1,3-benzothiadiazole-4-sulfonamide is 296800-95-8.
What is the molecular formula of N-(3-phenylpropyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The molecular formula of N-(3-phenylpropyl)-2,1,3-benzothiadiazole-4-sulfonamide is C15H15N3O2S2.
What is the molecular weight of N-(3-phenylpropyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The molecular weight of N-(3-phenylpropyl)-2,1,3-benzothiadiazole-4-sulfonamide is 333.06 g/mol.
Where can I buy N-(3-phenylpropyl)-2,1,3-benzothiadiazole-4-sulfonamide?
You can request a quote for N-(3-phenylpropyl)-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-(3-phenylpropyl)-2,1,3-benzothiadiazole-4-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-phenylpropyl)-2,1,3-benzothiadiazole-4-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.