Sulfenamide
TL;DR: Sulfenamide (CAS 121459-89-0) is a chemical compound with molecular formula C17H18ClN3O2S and molecular weight 363.0808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,13-dimethoxy-4,6-dimethyl-9-thia-10,17-diaza-2-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaene chloride
Also Known As: Sulfenamide, Omeprazole Impurity 60, 3,9-Dimethoxy-2,4-dimethyl-5H-benzo[4,5]imidazo[1,2-b]pyrido[1,2-d][1,2,4]thiadiazin-13-ium chloride, 5,13-dimethoxy-4,6-dimethyl-9-thia-10,17-diaza-2-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaene;chloride, 3,9-Dimethoxy-2,4-dimethyl-5H-benzo[4,5]imidazo[1,2-b]pyrido[1,2-d][1,2,4]thiadiazin-13-iumchloride
Technical Specifications
| Molecular Formula | C17H18ClN3O2S |
| Molecular Weight | 363.0808 g/mol |
| XLogP | -0.03906 |
| Topological Polar Surface Area (TPSA) | 65.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 363.0808 Da |
| Heavy Atoms | 24 |
| Complexity | 440.0 |
| SMILES | CC1=C[N+]2=C(CSN3C2=NC4=C3C=C(C=C4)OC)C(=C1OC)C.[Cl-] |
| InChIKey | QAZLUNIWYYOJPC-UHFFFAOYSA-M |
Chemical Property Profile of Sulfenamide
Property Insights of Sulfenamide
The XLogP value of -0.03906 indicates that Sulfenamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfenamide. Following Lipinski's Rule of Five, Sulfenamide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Sulfenamide?
The CAS number of Sulfenamide is 121459-89-0.
What is the molecular formula of Sulfenamide?
The molecular formula of Sulfenamide is C17H18ClN3O2S.
What is the molecular weight of Sulfenamide?
The molecular weight of Sulfenamide is 363.0808 g/mol.
Where can I buy Sulfenamide?
You can request a quote for Sulfenamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sulfenamide?
Yes, CoreyChem provides custom synthesis services for Sulfenamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.