4-nitro-N-(4-sulfamoylbenzyl)benzenesulfonamide
TL;DR: 4-nitro-N-(4-sulfamoylbenzyl)benzenesulfonamide (CAS 91662-96-3) is a chemical compound with molecular formula C13H13N3O6S2 and molecular weight 371.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(4-nitrophenyl)sulfonylamino]methyl]benzenesulfonamide
Also Known As: BAS 02065174, 4-nitro-N-(4-sulfamoylbenzyl)benzenesulfonamide, 4-[(4-nitrobenzenesulfonamido)methyl]benzene-1-sulfonamide, 4-[[(4-nitrophenyl)sulfonylamino]methyl]benzenesulfonamide, 4-(4-Nitrobenzenesulfonylamidomethyl)-benzenesulfonamide
| Molecular Formula | C13H13N3O6S2 |
|---|---|
| Molecular Weight | 371.02 g/mol |
| LogP | 0.7207 |
| Topological Polar Surface Area | 149.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.02457 |
| Heavy Atoms | 24 |
| Complexity | 951.77155 |
Chemical Identifiers
| CAS Number | 91662-96-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N |
Product Overview
4-nitro-N-(4-sulfamoylbenzyl)benzenesulfonamide (CAS 91662-96-3), with molecular formula C13H13N3O6S2 and molecular weight 371.02 g/mol. IUPAC: 4-[[(4-nitrophenyl)sulfonylamino]methyl]benzenesulfonamide.
Chemical Property Profile of 4-nitro-N-(4-sulfamoylbenzyl)benzenesulfonamide
Property Insights of 4-nitro-N-(4-sulfamoylbenzyl)benzenesulfonamide
The XLogP value of 0.7207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-nitro-N-(4-sulfamoylbenzyl)benzenesulfonamide. The TPSA of 149.47 Ų indicates high polarity, suggesting 4-nitro-N-(4-sulfamoylbenzyl)benzenesulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-nitro-N-(4-sulfamoylbenzyl)benzenesulfonamide has 2 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 4-nitro-N-(4-sulfamoylbenzyl)benzenesulfonamide?
The CAS number of 4-nitro-N-(4-sulfamoylbenzyl)benzenesulfonamide is 91662-96-3.
What is the molecular formula of 4-nitro-N-(4-sulfamoylbenzyl)benzenesulfonamide?
The molecular formula of 4-nitro-N-(4-sulfamoylbenzyl)benzenesulfonamide is C13H13N3O6S2.
What is the molecular weight of 4-nitro-N-(4-sulfamoylbenzyl)benzenesulfonamide?
The molecular weight of 4-nitro-N-(4-sulfamoylbenzyl)benzenesulfonamide is 371.02 g/mol.
Where can I buy 4-nitro-N-(4-sulfamoylbenzyl)benzenesulfonamide?
You can request a quote for 4-nitro-N-(4-sulfamoylbenzyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitro-N-(4-sulfamoylbenzyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-nitro-N-(4-sulfamoylbenzyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.