N-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-2-methyl-5-nitrobenzenesulfonamide
TL;DR: N-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-2-methyl-5-nitrobenzenesulfonamide (CAS 670267-95-5) is a chemical compound with molecular formula C14H9ClN2O6S2 and molecular weight 399.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-2-methyl-5-nitrobenzenesulfonamide
Also Known As: AS-871/42707977, N-(7-chloro-2-oxo-2H-1,3-benzoxathiol-5-yl)-2-methyl-5-nitrobenzene-1-sulfonamide, F1565-0287, N-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-2-methyl-5-nitrobenzenesulfonamide, N-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-5-nitro-2-methylbenzenesulfonamide
| Molecular Formula | C14H9ClN2O6S2 |
|---|---|
| Molecular Weight | 399.96 g/mol |
| LogP | 3.52532 |
| Topological Polar Surface Area | 119.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.95905 |
| Heavy Atoms | 25 |
| Complexity | 1165.7689 |
Chemical Identifiers
| CAS Number | 670267-95-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(C(=C2)Cl)OC(=O)S3 |
Product Overview
N-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-2-methyl-5-nitrobenzenesulfonamide (CAS 670267-95-5), with molecular formula C14H9ClN2O6S2 and molecular weight 399.96 g/mol. IUPAC: N-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-2-methyl-5-nitrobenzenesulfonamide.
Chemical Property Profile of N-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-2-methyl-5-nitrobenzenesulfonamide
Property Insights of N-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-2-methyl-5-nitrobenzenesulfonamide
The XLogP value of 3.52532 indicates that N-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-2-methyl-5-nitrobenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.52 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-2-methyl-5-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-2-methyl-5-nitrobenzenesulfonamide 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-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-2-methyl-5-nitrobenzenesulfonamide?
The CAS number of N-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-2-methyl-5-nitrobenzenesulfonamide is 670267-95-5.
What is the molecular formula of N-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-2-methyl-5-nitrobenzenesulfonamide?
The molecular formula of N-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-2-methyl-5-nitrobenzenesulfonamide is C14H9ClN2O6S2.
What is the molecular weight of N-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-2-methyl-5-nitrobenzenesulfonamide?
The molecular weight of N-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-2-methyl-5-nitrobenzenesulfonamide is 399.96 g/mol.
Where can I buy N-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-2-methyl-5-nitrobenzenesulfonamide?
You can request a quote for N-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-2-methyl-5-nitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-2-methyl-5-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-2-methyl-5-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.