N-(1,3-Benzodioxol-5-ylmethyl)-4-nitrobenzenesulfonamide
TL;DR: N-(1,3-Benzodioxol-5-ylmethyl)-4-nitrobenzenesulfonamide (CAS 5176-37-4) is a chemical compound with molecular formula C14H12N2O6S and molecular weight 336.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-4-nitrobenzenesulfonamide
Also Known As: BAS 01926490, N-(1,3-Benzodioxol-5-ylmethyl)-4-nitrobenzenesulfonamide, UPCMLD0ENAT5948026:001, Benzenesulfonamide, 4-nitro-N-(3,4-methylenedioxybenzyl)-, N-Benzo[1,3]dioxol-5-ylmethyl-4-nitro-benzenesulfonamide
| Molecular Formula | C14H12N2O6S |
|---|---|
| Molecular Weight | 336.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.0416 |
| Heavy Atoms | 23 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 5176-37-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | QBSBUPQVAFPGBP-UHFFFAOYSA-N |
Product Overview
N-(1,3-Benzodioxol-5-ylmethyl)-4-nitrobenzenesulfonamide (CAS 5176-37-4), with molecular formula C14H12N2O6S and molecular weight 336.04 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-4-nitrobenzenesulfonamide.
Chemical Property Profile of N-(1,3-Benzodioxol-5-ylmethyl)-4-nitrobenzenesulfonamide
Property Insights of N-(1,3-Benzodioxol-5-ylmethyl)-4-nitrobenzenesulfonamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-Benzodioxol-5-ylmethyl)-4-nitrobenzenesulfonamide. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-Benzodioxol-5-ylmethyl)-4-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-(1,3-Benzodioxol-5-ylmethyl)-4-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-(1,3-Benzodioxol-5-ylmethyl)-4-nitrobenzenesulfonamide?
The CAS number of N-(1,3-Benzodioxol-5-ylmethyl)-4-nitrobenzenesulfonamide is 5176-37-4.
What is the molecular formula of N-(1,3-Benzodioxol-5-ylmethyl)-4-nitrobenzenesulfonamide?
The molecular formula of N-(1,3-Benzodioxol-5-ylmethyl)-4-nitrobenzenesulfonamide is C14H12N2O6S.
What is the molecular weight of N-(1,3-Benzodioxol-5-ylmethyl)-4-nitrobenzenesulfonamide?
The molecular weight of N-(1,3-Benzodioxol-5-ylmethyl)-4-nitrobenzenesulfonamide is 336.04 g/mol.
Where can I buy N-(1,3-Benzodioxol-5-ylmethyl)-4-nitrobenzenesulfonamide?
You can request a quote for N-(1,3-Benzodioxol-5-ylmethyl)-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-ylmethyl)-4-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-Benzodioxol-5-ylmethyl)-4-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.