4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-sulfamoylphenyl)benzamide
TL;DR: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-sulfamoylphenyl)benzamide (CAS 391876-79-2) is a chemical compound with molecular formula C22H21N3O5S2 and molecular weight 471.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-sulfamoylphenyl)benzamide
Also Known As: 4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(4-sulfamoylphenyl)benzamide, 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-sulfamoylphenyl)benzamide, F0473-0308, N-(4-sulfamoylphenyl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide
| Molecular Formula | C22H21N3O5S2 |
|---|---|
| Molecular Weight | 471.09 g/mol |
| LogP | 2.3333 |
| Topological Polar Surface Area | 126.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.09225 |
| Heavy Atoms | 32 |
| Complexity | 1367.8235 |
Chemical Identifiers
| CAS Number | 391876-79-2 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N |
Product Overview
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-sulfamoylphenyl)benzamide (CAS 391876-79-2), with molecular formula C22H21N3O5S2 and molecular weight 471.09 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-sulfamoylphenyl)benzamide.
Chemical Property Profile of 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-sulfamoylphenyl)benzamide
Property Insights of 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-sulfamoylphenyl)benzamide
The XLogP value of 2.3333 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-sulfamoylphenyl)benzamide. The TPSA of 126.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-sulfamoylphenyl)benzamide. Following Lipinski's Rule of Five, 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-sulfamoylphenyl)benzamide has 2 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 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-sulfamoylphenyl)benzamide?
The CAS number of 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-sulfamoylphenyl)benzamide is 391876-79-2.
What is the molecular formula of 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-sulfamoylphenyl)benzamide?
The molecular formula of 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-sulfamoylphenyl)benzamide is C22H21N3O5S2.
What is the molecular weight of 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-sulfamoylphenyl)benzamide?
The molecular weight of 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-sulfamoylphenyl)benzamide is 471.09 g/mol.
Where can I buy 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-sulfamoylphenyl)benzamide?
You can request a quote for 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-sulfamoylphenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-sulfamoylphenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-sulfamoylphenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.