N-isopropyl-2,1,3-benzothiadiazole-4-sulfonamide
TL;DR: N-isopropyl-2,1,3-benzothiadiazole-4-sulfonamide (CAS 697256-43-2) is a chemical compound with molecular formula C9H11N3O2S2 and molecular weight 257.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-propan-2-yl-2,1,3-benzothiadiazole-4-sulfonamide
Also Known As: ChemDiv1_017243, N-isopropyl-2,1,3-benzothiadiazole-4-sulfonamide, 2,1,3-Benzothiadiazole-4-sulfonamide, N-(1-methylethyl)-, N-propan-2-yl-2,1,3-benzothiadiazole-4-sulfonamide, N-(PROPAN-2-YL)-2,1,3-BENZOTHIADIAZOLE-4-SULFONAMIDE
| Molecular Formula | C9H11N3O2S2 |
|---|---|
| Molecular Weight | 257.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.02927 |
| Heavy Atoms | 16 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 697256-43-2 |
|---|---|
| SMILES | CC(C)NS(=O)(=O)C1=CC=CC2=NSN=C21 |
| InChIKey | RRLFOZBUOCDCFH-UHFFFAOYSA-N |
Product Overview
N-isopropyl-2,1,3-benzothiadiazole-4-sulfonamide (CAS 697256-43-2), with molecular formula C9H11N3O2S2 and molecular weight 257.03 g/mol. IUPAC: N-propan-2-yl-2,1,3-benzothiadiazole-4-sulfonamide.
Chemical Property Profile of N-isopropyl-2,1,3-benzothiadiazole-4-sulfonamide
Property Insights of N-isopropyl-2,1,3-benzothiadiazole-4-sulfonamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-isopropyl-2,1,3-benzothiadiazole-4-sulfonamide. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-isopropyl-2,1,3-benzothiadiazole-4-sulfonamide. Following Lipinski's Rule of Five, N-isopropyl-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 N-isopropyl-2,1,3-benzothiadiazole-4-sulfonamide?
The CAS number of N-isopropyl-2,1,3-benzothiadiazole-4-sulfonamide is 697256-43-2.
What is the molecular formula of N-isopropyl-2,1,3-benzothiadiazole-4-sulfonamide?
The molecular formula of N-isopropyl-2,1,3-benzothiadiazole-4-sulfonamide is C9H11N3O2S2.
What is the molecular weight of N-isopropyl-2,1,3-benzothiadiazole-4-sulfonamide?
The molecular weight of N-isopropyl-2,1,3-benzothiadiazole-4-sulfonamide is 257.03 g/mol.
Where can I buy N-isopropyl-2,1,3-benzothiadiazole-4-sulfonamide?
You can request a quote for N-isopropyl-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-isopropyl-2,1,3-benzothiadiazole-4-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-isopropyl-2,1,3-benzothiadiazole-4-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.