![N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methoxy-4,5-dimethylbenzene-1-sulfonamide structure](/static/products/4591/459174-72-2.webp)
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methoxy-4,5-dimethylbenzene-1-sulfonamide
TL;DR: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methoxy-4,5-dimethylbenzene-1-sulfonamide (CAS 459174-72-2) is a chemical compound with molecular formula C17H19NO5S and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
Also Known As: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methoxy-4,5-dimethylbenzene-1-sulfonamide, N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-4,5-dimethylbenzenesulfonamide, N-(benzo[1,3]dioxol-5-ylmethyl)-2-methoxy-4,5-dimethyl-benzenesulfonamide, (2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)[(2-methoxy-4,5-dimethylphenyl)sulfony l]amine
| Molecular Formula | C17H19NO5S |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 82.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.0984 |
| Heavy Atoms | 24 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 459174-72-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)OC |
| InChIKey | ZWNDXVDKMSKYIW-UHFFFAOYSA-N |
Product Overview
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methoxy-4,5-dimethylbenzene-1-sulfonamide (CAS 459174-72-2), with molecular formula C17H19NO5S and molecular weight 349.10 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-4,5-dimethylbenzenesulfonamide.
Chemical Property Profile of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methoxy-4,5-dimethylbenzene-1-sulfonamide
Property Insights of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methoxy-4,5-dimethylbenzene-1-sulfonamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methoxy-4,5-dimethylbenzene-1-sulfonamide. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methoxy-4,5-dimethylbenzene-1-sulfonamide. Following Lipinski's Rule of Five, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methoxy-4,5-dimethylbenzene-1-sulfonamide 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-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methoxy-4,5-dimethylbenzene-1-sulfonamide?
The CAS number of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methoxy-4,5-dimethylbenzene-1-sulfonamide is 459174-72-2.
What is the molecular formula of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methoxy-4,5-dimethylbenzene-1-sulfonamide?
The molecular formula of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methoxy-4,5-dimethylbenzene-1-sulfonamide is C17H19NO5S.
What is the molecular weight of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methoxy-4,5-dimethylbenzene-1-sulfonamide?
The molecular weight of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methoxy-4,5-dimethylbenzene-1-sulfonamide is 349.10 g/mol.
Where can I buy N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methoxy-4,5-dimethylbenzene-1-sulfonamide?
You can request a quote for N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methoxy-4,5-dimethylbenzene-1-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methoxy-4,5-dimethylbenzene-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methoxy-4,5-dimethylbenzene-1-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.