N-(1,3-benzodioxol-5-yl)-4-nitrobenzenesulfonamide
TL;DR: N-(1,3-benzodioxol-5-yl)-4-nitrobenzenesulfonamide (CAS 401611-20-9) is a chemical compound with molecular formula C13H10N2O6S and molecular weight 322.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-4-nitrobenzenesulfonamide
Also Known As: N-(1,3-benzodioxol-5-yl)-4-nitrobenzenesulfonamide, 2H-benzo[3,4-d]1,3-dioxolan-5-yl[(4-nitrophenyl)sulfonyl]amine
| Molecular Formula | C13H10N2O6S |
|---|---|
| Molecular Weight | 322.03 g/mol |
| LogP | 2.1243 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.02597 |
| Heavy Atoms | 22 |
| Complexity | 832.1089 |
Chemical Identifiers
| CAS Number | 401611-20-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-(1,3-benzodioxol-5-yl)-4-nitrobenzenesulfonamide (CAS 401611-20-9), with molecular formula C13H10N2O6S and molecular weight 322.03 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-4-nitrobenzenesulfonamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-4-nitrobenzenesulfonamide
Property Insights of N-(1,3-benzodioxol-5-yl)-4-nitrobenzenesulfonamide
The XLogP value of 2.1243 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)-4-nitrobenzenesulfonamide. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-4-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-4-nitrobenzenesulfonamide 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 N-(1,3-benzodioxol-5-yl)-4-nitrobenzenesulfonamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-4-nitrobenzenesulfonamide is 401611-20-9.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-4-nitrobenzenesulfonamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-4-nitrobenzenesulfonamide is C13H10N2O6S.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-4-nitrobenzenesulfonamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-4-nitrobenzenesulfonamide is 322.03 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-4-nitrobenzenesulfonamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-4-nitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-yl)-4-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-4-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.