N-(1,3-benzodioxol-5-yl)-3-(methylsulfonyl)benzenesulfonamide
TL;DR: N-(1,3-benzodioxol-5-yl)-3-(methylsulfonyl)benzenesulfonamide (CAS 897830-98-7) is a chemical compound with molecular formula C14H13NO6S2 and molecular weight 355.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-3-methylsulfonylbenzenesulfonamide
Also Known As: VU0507917-1, F3043-0043, N-(1,3-benzodioxol-5-yl)-3-(methylsulfonyl)benzenesulfonamide, (m-mesylphenylsulfonyl)-2H-1,3-benzodioxol-5-ylamine, N-(1,3-benzodioxol-5-yl)-3-methylsulfonylbenzenesulfonamide
| Molecular Formula | C14H13NO6S2 |
|---|---|
| Molecular Weight | 355.02 g/mol |
| LogP | 1.6196 |
| Topological Polar Surface Area | 98.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.01843 |
| Heavy Atoms | 23 |
| Complexity | 966.5121 |
Chemical Identifiers
| CAS Number | 897830-98-7 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCO3 |
Product Overview
N-(1,3-benzodioxol-5-yl)-3-(methylsulfonyl)benzenesulfonamide (CAS 897830-98-7), with molecular formula C14H13NO6S2 and molecular weight 355.02 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-3-methylsulfonylbenzenesulfonamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-3-(methylsulfonyl)benzenesulfonamide
Property Insights of N-(1,3-benzodioxol-5-yl)-3-(methylsulfonyl)benzenesulfonamide
The XLogP value of 1.6196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)-3-(methylsulfonyl)benzenesulfonamide. The TPSA of 98.77 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-3-(methylsulfonyl)benzenesulfonamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-3-(methylsulfonyl)benzenesulfonamide 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)-3-(methylsulfonyl)benzenesulfonamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-3-(methylsulfonyl)benzenesulfonamide is 897830-98-7.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-3-(methylsulfonyl)benzenesulfonamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-3-(methylsulfonyl)benzenesulfonamide is C14H13NO6S2.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-3-(methylsulfonyl)benzenesulfonamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-3-(methylsulfonyl)benzenesulfonamide is 355.02 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-3-(methylsulfonyl)benzenesulfonamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-3-(methylsulfonyl)benzenesulfonamide 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)-3-(methylsulfonyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-3-(methylsulfonyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.