N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-ethoxybenzenesulfonamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-ethoxybenzenesulfonamide (CAS 691380-69-5) is a chemical compound with molecular formula C16H16ClNO5S and molecular weight 369.04 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-chloro-3-ethoxybenzenesulfonamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-ethoxybenzenesulfonamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-4-chloro-3-ethoxybenzenesulfonamide, F1648-0027, (2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)[(4-chloro-3-ethoxyphenyl)sulfonyl]ami ne
| Molecular Formula | C16H16ClNO5S |
|---|---|
| Molecular Weight | 369.04 g/mol |
| LogP | 2.9459 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.04376 |
| Heavy Atoms | 24 |
| Complexity | 853.54144 |
Chemical Identifiers
| CAS Number | 691380-69-5 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)Cl |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-ethoxybenzenesulfonamide (CAS 691380-69-5), with molecular formula C16H16ClNO5S and molecular weight 369.04 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-ethoxybenzenesulfonamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-ethoxybenzenesulfonamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-ethoxybenzenesulfonamide
The XLogP value of 2.9459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-ethoxybenzenesulfonamide. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-ethoxybenzenesulfonamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-ethoxybenzenesulfonamide has 1 hydrogen bond donor(s) and 5 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-chloro-3-ethoxybenzenesulfonamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-ethoxybenzenesulfonamide is 691380-69-5.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-ethoxybenzenesulfonamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-ethoxybenzenesulfonamide is C16H16ClNO5S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-ethoxybenzenesulfonamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-ethoxybenzenesulfonamide is 369.04 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-ethoxybenzenesulfonamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-ethoxybenzenesulfonamide 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-chloro-3-ethoxybenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-ethoxybenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.