N-(2-pyrrolidin-1-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide
TL;DR: N-(2-pyrrolidin-1-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide (CAS 313496-47-8) is a chemical compound with molecular formula C12H16N4O2S2 and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-pyrrolidin-1-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide
Also Known As: ChemDiv1_000002, BAS 00318955, AE-848/32306044, N-(2-pyrrolidin-1-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide, N-[2-(1-Pyrrolidinyl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
| Molecular Formula | C12H16N4O2S2 |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.07147 |
| Heavy Atoms | 20 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 313496-47-8 |
|---|---|
| SMILES | C1CCN(C1)CCNS(=O)(=O)C2=CC=CC3=NSN=C32 |
| InChIKey | UONDZNWPCIUBCD-UHFFFAOYSA-N |
Product Overview
N-(2-pyrrolidin-1-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide (CAS 313496-47-8), with molecular formula C12H16N4O2S2 and molecular weight 312.07 g/mol. IUPAC: N-(2-pyrrolidin-1-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide.
Chemical Property Profile of N-(2-pyrrolidin-1-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide
Property Insights of N-(2-pyrrolidin-1-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-pyrrolidin-1-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-pyrrolidin-1-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide. Following Lipinski's Rule of Five, N-(2-pyrrolidin-1-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide has 1 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-pyrrolidin-1-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The CAS number of N-(2-pyrrolidin-1-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide is 313496-47-8.
What is the molecular formula of N-(2-pyrrolidin-1-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The molecular formula of N-(2-pyrrolidin-1-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide is C12H16N4O2S2.
What is the molecular weight of N-(2-pyrrolidin-1-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The molecular weight of N-(2-pyrrolidin-1-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide is 312.07 g/mol.
Where can I buy N-(2-pyrrolidin-1-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
You can request a quote for N-(2-pyrrolidin-1-ylethyl)-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-pyrrolidin-1-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-pyrrolidin-1-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.