N-(2-((4-((Dimethylamino)sulphonyl)-2-nitrophenyl)thio)phenyl)formamide
TL;DR: N-(2-((4-((Dimethylamino)sulphonyl)-2-nitrophenyl)thio)phenyl)formamide (CAS 53106-13-1) is a chemical compound with molecular formula C15H15N3O5S2 and molecular weight 381.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[4-(dimethylsulfamoyl)-2-nitrophenyl]sulfanylphenyl]formamide
Also Known As: N-(2-((4-((Dimethylamino)sulphonyl)-2-nitrophenyl)thio)phenyl)formamide, 4-[(2-formamidophenyl)sulfanyl]-n,n-dimethyl-3-nitrobenzenesulfonamide, N-(2-{[4-(dimethylsulfamoyl)-2-nitrophenyl]sulfanyl}phenyl)formamide, N-[2-[[4-[ sulphonyl]-2-nitrophenyl]thio]phenyl]formamide, n-[2-[[4-[sulphonyl]-2-nitrophenyl]thio]phenyl]formamide
| Molecular Formula | C15H15N3O5S2 |
|---|---|
| Molecular Weight | 381.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.04532 |
| Heavy Atoms | 25 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 53106-13-1 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2NC=O)[N+](=O)[O-] |
| InChIKey | KWISCMZQXDJACS-UHFFFAOYSA-N |
Product Overview
N-(2-((4-((Dimethylamino)sulphonyl)-2-nitrophenyl)thio)phenyl)formamide (CAS 53106-13-1), with molecular formula C15H15N3O5S2 and molecular weight 381.05 g/mol. IUPAC: N-[2-[4-(dimethylsulfamoyl)-2-nitrophenyl]sulfanylphenyl]formamide.
Chemical Property Profile of N-(2-((4-((Dimethylamino)sulphonyl)-2-nitrophenyl)thio)phenyl)formamide
Property Insights of N-(2-((4-((Dimethylamino)sulphonyl)-2-nitrophenyl)thio)phenyl)formamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-((4-((Dimethylamino)sulphonyl)-2-nitrophenyl)thio)phenyl)formamide. The TPSA of 146.0 Ų indicates high polarity, suggesting N-(2-((4-((Dimethylamino)sulphonyl)-2-nitrophenyl)thio)phenyl)formamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2-((4-((Dimethylamino)sulphonyl)-2-nitrophenyl)thio)phenyl)formamide 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-((4-((Dimethylamino)sulphonyl)-2-nitrophenyl)thio)phenyl)formamide?
The CAS number of N-(2-((4-((Dimethylamino)sulphonyl)-2-nitrophenyl)thio)phenyl)formamide is 53106-13-1.
What is the molecular formula of N-(2-((4-((Dimethylamino)sulphonyl)-2-nitrophenyl)thio)phenyl)formamide?
The molecular formula of N-(2-((4-((Dimethylamino)sulphonyl)-2-nitrophenyl)thio)phenyl)formamide is C15H15N3O5S2.
What is the molecular weight of N-(2-((4-((Dimethylamino)sulphonyl)-2-nitrophenyl)thio)phenyl)formamide?
The molecular weight of N-(2-((4-((Dimethylamino)sulphonyl)-2-nitrophenyl)thio)phenyl)formamide is 381.05 g/mol.
Where can I buy N-(2-((4-((Dimethylamino)sulphonyl)-2-nitrophenyl)thio)phenyl)formamide?
You can request a quote for N-(2-((4-((Dimethylamino)sulphonyl)-2-nitrophenyl)thio)phenyl)formamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-((4-((Dimethylamino)sulphonyl)-2-nitrophenyl)thio)phenyl)formamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-((4-((Dimethylamino)sulphonyl)-2-nitrophenyl)thio)phenyl)formamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.