N-(1-benzyl-1H-1,3-benzimidazol-2-yl)-2-nitrobenzenesulfonamide
TL;DR: N-(1-benzyl-1H-1,3-benzimidazol-2-yl)-2-nitrobenzenesulfonamide (CAS 400085-48-5) is a chemical compound with molecular formula C20H16N4O4S and molecular weight 408.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-benzylbenzimidazol-2-yl)-2-nitrobenzenesulfonamide
Also Known As: 6J-542S, N-(1-benzylbenzimidazol-2-yl)-2-nitrobenzenesulfonamide, N-(1-benzyl-1H-1,3-benzimidazol-2-yl)-2-nitrobenzenesulfonamide, N-(1-benzylbenzoimidazol-2-yl)-2-nitro-benzenesulfonamide, N-(1-benzyl-1H-1,3-benzodiazol-2-yl)-2-nitrobenzene-1-sulfonamide
| Molecular Formula | C20H16N4O4S |
|---|---|
| Molecular Weight | 408.09 g/mol |
| LogP | 3.7936 |
| Topological Polar Surface Area | 107.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.08923 |
| Heavy Atoms | 29 |
| Complexity | 1300.5776 |
Chemical Identifiers
| CAS Number | 400085-48-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-] |
Product Overview
N-(1-benzyl-1H-1,3-benzimidazol-2-yl)-2-nitrobenzenesulfonamide (CAS 400085-48-5), with molecular formula C20H16N4O4S and molecular weight 408.09 g/mol. IUPAC: N-(1-benzylbenzimidazol-2-yl)-2-nitrobenzenesulfonamide.
Chemical Property Profile of N-(1-benzyl-1H-1,3-benzimidazol-2-yl)-2-nitrobenzenesulfonamide
Property Insights of N-(1-benzyl-1H-1,3-benzimidazol-2-yl)-2-nitrobenzenesulfonamide
The XLogP value of 3.7936 indicates that N-(1-benzyl-1H-1,3-benzimidazol-2-yl)-2-nitrobenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.13 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-benzyl-1H-1,3-benzimidazol-2-yl)-2-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-(1-benzyl-1H-1,3-benzimidazol-2-yl)-2-nitrobenzenesulfonamide 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-(1-benzyl-1H-1,3-benzimidazol-2-yl)-2-nitrobenzenesulfonamide?
The CAS number of N-(1-benzyl-1H-1,3-benzimidazol-2-yl)-2-nitrobenzenesulfonamide is 400085-48-5.
What is the molecular formula of N-(1-benzyl-1H-1,3-benzimidazol-2-yl)-2-nitrobenzenesulfonamide?
The molecular formula of N-(1-benzyl-1H-1,3-benzimidazol-2-yl)-2-nitrobenzenesulfonamide is C20H16N4O4S.
What is the molecular weight of N-(1-benzyl-1H-1,3-benzimidazol-2-yl)-2-nitrobenzenesulfonamide?
The molecular weight of N-(1-benzyl-1H-1,3-benzimidazol-2-yl)-2-nitrobenzenesulfonamide is 408.09 g/mol.
Where can I buy N-(1-benzyl-1H-1,3-benzimidazol-2-yl)-2-nitrobenzenesulfonamide?
You can request a quote for N-(1-benzyl-1H-1,3-benzimidazol-2-yl)-2-nitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-benzyl-1H-1,3-benzimidazol-2-yl)-2-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-benzyl-1H-1,3-benzimidazol-2-yl)-2-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.