3-Amino-N,N-dimethyl-4-((2-nitrophenyl)thio)benzenesulphonamide
TL;DR: 3-Amino-N,N-dimethyl-4-((2-nitrophenyl)thio)benzenesulphonamide (CAS 85532-99-6) is a chemical compound with molecular formula C14H15N3O4S2 and molecular weight 353.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-N,N-dimethyl-4-(2-nitrophenyl)sulfanylbenzenesulfonamide
Also Known As: EINECS 287-474-4, NIOSH/OY2220000, 3-Amino-N,N-dimethyl-4-((2-nitrophenyl)thio)benzenesulphonamide, 3-amino-N,N-dimethyl-4-(2-nitrophenyl)sulfanylbenzenesulfonamide, 3-Amino-N,N-dimethyl-4-[(2-nitrophenyl)thio]benzenesulfonamide
| Molecular Formula | C14H15N3O4S2 |
|---|---|
| Molecular Weight | 353.05 g/mol |
| LogP | 2.5785 |
| Topological Polar Surface Area | 106.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.05038 |
| Heavy Atoms | 23 |
| Complexity | 850.85095 |
Chemical Identifiers
| CAS Number | 85532-99-6 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2[N+](=O)[O-])N |
Product Overview
3-Amino-N,N-dimethyl-4-((2-nitrophenyl)thio)benzenesulphonamide (CAS 85532-99-6), with molecular formula C14H15N3O4S2 and molecular weight 353.05 g/mol. IUPAC: 3-amino-N,N-dimethyl-4-(2-nitrophenyl)sulfanylbenzenesulfonamide.
Chemical Property Profile of 3-Amino-N,N-dimethyl-4-((2-nitrophenyl)thio)benzenesulphonamide
Property Insights of 3-Amino-N,N-dimethyl-4-((2-nitrophenyl)thio)benzenesulphonamide
The XLogP value of 2.5785 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-N,N-dimethyl-4-((2-nitrophenyl)thio)benzenesulphonamide. The TPSA of 106.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-N,N-dimethyl-4-((2-nitrophenyl)thio)benzenesulphonamide. Following Lipinski's Rule of Five, 3-Amino-N,N-dimethyl-4-((2-nitrophenyl)thio)benzenesulphonamide 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 3-Amino-N,N-dimethyl-4-((2-nitrophenyl)thio)benzenesulphonamide?
The CAS number of 3-Amino-N,N-dimethyl-4-((2-nitrophenyl)thio)benzenesulphonamide is 85532-99-6.
What is the molecular formula of 3-Amino-N,N-dimethyl-4-((2-nitrophenyl)thio)benzenesulphonamide?
The molecular formula of 3-Amino-N,N-dimethyl-4-((2-nitrophenyl)thio)benzenesulphonamide is C14H15N3O4S2.
What is the molecular weight of 3-Amino-N,N-dimethyl-4-((2-nitrophenyl)thio)benzenesulphonamide?
The molecular weight of 3-Amino-N,N-dimethyl-4-((2-nitrophenyl)thio)benzenesulphonamide is 353.05 g/mol.
Where can I buy 3-Amino-N,N-dimethyl-4-((2-nitrophenyl)thio)benzenesulphonamide?
You can request a quote for 3-Amino-N,N-dimethyl-4-((2-nitrophenyl)thio)benzenesulphonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-N,N-dimethyl-4-((2-nitrophenyl)thio)benzenesulphonamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-N,N-dimethyl-4-((2-nitrophenyl)thio)benzenesulphonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.