3-cyano-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide
TL;DR: 3-cyano-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide (CAS 1001839-57-1) is a chemical compound with molecular formula C13H14N4O2S and molecular weight 290.08374 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
Also Known As: 3-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide, 3-cyano-N-(trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide, 3-cyano-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide
Technical Specifications
| Molecular Formula | C13H14N4O2S |
| Molecular Weight | 290.08374 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 96.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.08374 Da |
| Heavy Atoms | 20 |
| Complexity | 492.0 |
| SMILES | CC1=C(C(=NN1C)C)NS(=O)(=O)C2=CC=CC(=C2)C#N |
| InChIKey | JZBWYMXZFKCZOZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-cyano-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide
Property Insights of 3-cyano-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-cyano-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-cyano-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide. Following Lipinski's Rule of Five, 3-cyano-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide 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
What is the CAS number of 3-cyano-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide?
The CAS number of 3-cyano-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide is 1001839-57-1.
What is the molecular formula of 3-cyano-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide?
The molecular formula of 3-cyano-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide is C13H14N4O2S.
What is the molecular weight of 3-cyano-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide?
The molecular weight of 3-cyano-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide is 290.08374 g/mol.
Where can I buy 3-cyano-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide?
You can request a quote for 3-cyano-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-cyano-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide?
Yes, CoreyChem provides custom synthesis services for 3-cyano-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.