N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-6-methoxy-2,4-dimethylbenzenesulfonamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-6-methoxy-2,4-dimethylbenzenesulfonamide (CAS 700851-53-2) is a chemical compound with molecular formula C17H18ClNO5S and molecular weight 383.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-6-methoxy-2,4-dimethylbenzenesulfonamide
Also Known As: UPCMLD0ENAT5972567:001, N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-6-methoxy-2,4-dimethylbenzenesulfonamide, (2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)[(3-chloro-6-methoxy-2,4-dimethylpheny l)sulfonyl]amine
| Molecular Formula | C17H18ClNO5S |
|---|---|
| Molecular Weight | 383.06 g/mol |
| LogP | 3.17264 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.05942 |
| Heavy Atoms | 25 |
| Complexity | 927.12085 |
Chemical Identifiers
| CAS Number | 700851-53-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1Cl)C)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)OC |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-6-methoxy-2,4-dimethylbenzenesulfonamide (CAS 700851-53-2), with molecular formula C17H18ClNO5S and molecular weight 383.06 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-6-methoxy-2,4-dimethylbenzenesulfonamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-6-methoxy-2,4-dimethylbenzenesulfonamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-6-methoxy-2,4-dimethylbenzenesulfonamide
The XLogP value of 3.17264 indicates that N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-6-methoxy-2,4-dimethylbenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-6-methoxy-2,4-dimethylbenzenesulfonamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-6-methoxy-2,4-dimethylbenzenesulfonamide 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)-3-chloro-6-methoxy-2,4-dimethylbenzenesulfonamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-6-methoxy-2,4-dimethylbenzenesulfonamide is 700851-53-2.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-6-methoxy-2,4-dimethylbenzenesulfonamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-6-methoxy-2,4-dimethylbenzenesulfonamide is C17H18ClNO5S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-6-methoxy-2,4-dimethylbenzenesulfonamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-6-methoxy-2,4-dimethylbenzenesulfonamide is 383.06 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-6-methoxy-2,4-dimethylbenzenesulfonamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-6-methoxy-2,4-dimethylbenzenesulfonamide 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)-3-chloro-6-methoxy-2,4-dimethylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-6-methoxy-2,4-dimethylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.