N-(1,3-benzodioxol-5-yl)-4-methylsulfanylbenzenesulfonamide
TL;DR: N-(1,3-benzodioxol-5-yl)-4-methylsulfanylbenzenesulfonamide (CAS 698987-92-7) is a chemical compound with molecular formula C14H13NO4S2 and molecular weight 323.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-4-methylsulfanylbenzenesulfonamide
Also Known As: BAS 10839623, N-(1,3-benzodioxol-5-yl)-4-methylsulfanylbenzenesulfonamide, A3671/0155640, N-(1,3-benzodioxol-5-yl)-4-(methylsulfanyl)benzenesulfonamide, N-Benzo[1,3]dioxol-5-yl-4-methylsulfanyl-benzenesulfonamide
| Molecular Formula | C14H13NO4S2 |
|---|---|
| Molecular Weight | 323.03 g/mol |
| LogP | 2.938 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.0286 |
| Heavy Atoms | 21 |
| Complexity | 757.0435 |
Chemical Identifiers
| CAS Number | 698987-92-7 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCO3 |
Product Overview
N-(1,3-benzodioxol-5-yl)-4-methylsulfanylbenzenesulfonamide (CAS 698987-92-7), with molecular formula C14H13NO4S2 and molecular weight 323.03 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-4-methylsulfanylbenzenesulfonamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-4-methylsulfanylbenzenesulfonamide
Property Insights of N-(1,3-benzodioxol-5-yl)-4-methylsulfanylbenzenesulfonamide
The XLogP value of 2.938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)-4-methylsulfanylbenzenesulfonamide. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-4-methylsulfanylbenzenesulfonamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-4-methylsulfanylbenzenesulfonamide 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-yl)-4-methylsulfanylbenzenesulfonamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-4-methylsulfanylbenzenesulfonamide is 698987-92-7.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-4-methylsulfanylbenzenesulfonamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-4-methylsulfanylbenzenesulfonamide is C14H13NO4S2.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-4-methylsulfanylbenzenesulfonamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-4-methylsulfanylbenzenesulfonamide is 323.03 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-4-methylsulfanylbenzenesulfonamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-4-methylsulfanylbenzenesulfonamide 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)-4-methylsulfanylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-4-methylsulfanylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.