N-(benzenesulfonyl)-4-nitro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide
TL;DR: N-(benzenesulfonyl)-4-nitro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide (CAS 670267-64-8) is a chemical compound with molecular formula C20H12N2O7S2 and molecular weight 456.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzenesulfonyl)-4-nitro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide
Also Known As: AB00686142-01, N-(benzenesulfonyl)-4-nitro-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzamide, F1565-0236, N-(benzenesulfonyl)-4-nitro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide, 4-nitro-N-(2-oxobenzo[d][1,3]oxathiol-5-yl)-N-(phenylsulfonyl)benzamide
| Molecular Formula | C20H12N2O7S2 |
|---|---|
| Molecular Weight | 456.01 g/mol |
| LogP | 3.7984 |
| Topological Polar Surface Area | 127.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.0086 |
| Heavy Atoms | 31 |
| Complexity | 1456.953 |
Chemical Identifiers
| CAS Number | 670267-64-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=O)S3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
N-(benzenesulfonyl)-4-nitro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide (CAS 670267-64-8), with molecular formula C20H12N2O7S2 and molecular weight 456.01 g/mol. IUPAC: N-(benzenesulfonyl)-4-nitro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide.
Chemical Property Profile of N-(benzenesulfonyl)-4-nitro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide
Property Insights of N-(benzenesulfonyl)-4-nitro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide
The XLogP value of 3.7984 indicates that N-(benzenesulfonyl)-4-nitro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(benzenesulfonyl)-4-nitro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide. Following Lipinski's Rule of Five, N-(benzenesulfonyl)-4-nitro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide has 0 hydrogen bond donor(s) and 8 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-(benzenesulfonyl)-4-nitro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide?
The CAS number of N-(benzenesulfonyl)-4-nitro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide is 670267-64-8.
What is the molecular formula of N-(benzenesulfonyl)-4-nitro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide?
The molecular formula of N-(benzenesulfonyl)-4-nitro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide is C20H12N2O7S2.
What is the molecular weight of N-(benzenesulfonyl)-4-nitro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide?
The molecular weight of N-(benzenesulfonyl)-4-nitro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide is 456.01 g/mol.
Where can I buy N-(benzenesulfonyl)-4-nitro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide?
You can request a quote for N-(benzenesulfonyl)-4-nitro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(benzenesulfonyl)-4-nitro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(benzenesulfonyl)-4-nitro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.