methyl-2-sulfanylbenzenesulfonamide
TL;DR: methyl-2-sulfanylbenzenesulfonamide (CAS 170747-33-8) is a chemical compound with molecular formula C15H13Cl2N5O2S2 and molecular weight 428.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[5-(4-chloroanilino)-1H-1,2,4-triazol-3-yl]-5-methyl-2-sulfanylbenzenesulfonamide
Also Known As: methyl-2-sulfanylbenzenesulfonamide, NCI60_023282, 4-chloro-N-[5-(4-chloroanilino)-1H-1,2,4-triazol-3-yl]-5-methyl-2-sulfanylbenzenesulfonamide, 4-Chloro-N-(3-((4-chlorophenyl)amino)-1H-1,2,4-triazol-5-yl)-2-mercapto-5-methylbenzenesulfonamide, 4-Chloro-N-{3-[(4-chlorophenyl)amino]-1H-1,2,4-triazol-5-yl}-2-mercapto-5-methylbenzenesulfonamide
| Molecular Formula | C15H13Cl2N5O2S2 |
|---|---|
| Molecular Weight | 428.99 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.98877 |
| Heavy Atoms | 26 |
| Complexity | 571.0 |
Chemical Identifiers
| CAS Number | 170747-33-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=N2)NC3=CC=C(C=C3)Cl |
| InChIKey | GRYIAOMDOBRKIU-UHFFFAOYSA-N |
Product Overview
methyl-2-sulfanylbenzenesulfonamide (CAS 170747-33-8), with molecular formula C15H13Cl2N5O2S2 and molecular weight 428.99 g/mol. IUPAC: 4-chloro-N-[5-(4-chloroanilino)-1H-1,2,4-triazol-3-yl]-5-methyl-2-sulfanylbenzenesulfonamide.
Chemical Property Profile of methyl-2-sulfanylbenzenesulfonamide
Property Insights of methyl-2-sulfanylbenzenesulfonamide
The XLogP value of 4.5 indicates that methyl-2-sulfanylbenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl-2-sulfanylbenzenesulfonamide. Following Lipinski's Rule of Five, methyl-2-sulfanylbenzenesulfonamide has 4 hydrogen bond donor(s) and 7 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 methyl-2-sulfanylbenzenesulfonamide?
The CAS number of methyl-2-sulfanylbenzenesulfonamide is 170747-33-8.
What is the molecular formula of methyl-2-sulfanylbenzenesulfonamide?
The molecular formula of methyl-2-sulfanylbenzenesulfonamide is C15H13Cl2N5O2S2.
What is the molecular weight of methyl-2-sulfanylbenzenesulfonamide?
The molecular weight of methyl-2-sulfanylbenzenesulfonamide is 428.99 g/mol.
Where can I buy methyl-2-sulfanylbenzenesulfonamide?
You can request a quote for methyl-2-sulfanylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl-2-sulfanylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for methyl-2-sulfanylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.