N-(Aminoiminomethyl)-3-(methylsulfonyl)-4-(4-pyridinylthio)benzamide
TL;DR: N-(Aminoiminomethyl)-3-(methylsulfonyl)-4-(4-pyridinylthio)benzamide (CAS 157069-31-3) is a chemical compound with molecular formula C14H14N4O3S2 and molecular weight 350.05072 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(diaminomethylidene)-3-methylsulfonyl-4-pyridin-4-ylsulfanylbenzamide
Also Known As: N-(Aminoiminomethyl)-3-(methylsulfonyl)-4-(4-pyridinylthio)benzamide, N-(diaminomethylidene)-3-methylsulfonyl-4-pyridin-4-ylsulfanyl-benzamide, N-Carbamimidoyl-3-(methanesulfonyl)-4-[(pyridin-4-yl)sulfanyl]benzamide
Technical Specifications
| Molecular Formula | C14H14N4O3S2 |
| Molecular Weight | 350.05072 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 162.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.05072 Da |
| Heavy Atoms | 23 |
| Complexity | 549.0 |
| SMILES | CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)SC2=CC=NC=C2 |
| InChIKey | YIEQYGNUFWTTMO-UHFFFAOYSA-N |
Chemical Property Profile of N-(Aminoiminomethyl)-3-(methylsulfonyl)-4-(4-pyridinylthio)benzamide
Property Insights of N-(Aminoiminomethyl)-3-(methylsulfonyl)-4-(4-pyridinylthio)benzamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Aminoiminomethyl)-3-(methylsulfonyl)-4-(4-pyridinylthio)benzamide. The TPSA of 162.0 Ų indicates high polarity, suggesting N-(Aminoiminomethyl)-3-(methylsulfonyl)-4-(4-pyridinylthio)benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(Aminoiminomethyl)-3-(methylsulfonyl)-4-(4-pyridinylthio)benzamide has 2 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 N-(Aminoiminomethyl)-3-(methylsulfonyl)-4-(4-pyridinylthio)benzamide?
The CAS number of N-(Aminoiminomethyl)-3-(methylsulfonyl)-4-(4-pyridinylthio)benzamide is 157069-31-3.
What is the molecular formula of N-(Aminoiminomethyl)-3-(methylsulfonyl)-4-(4-pyridinylthio)benzamide?
The molecular formula of N-(Aminoiminomethyl)-3-(methylsulfonyl)-4-(4-pyridinylthio)benzamide is C14H14N4O3S2.
What is the molecular weight of N-(Aminoiminomethyl)-3-(methylsulfonyl)-4-(4-pyridinylthio)benzamide?
The molecular weight of N-(Aminoiminomethyl)-3-(methylsulfonyl)-4-(4-pyridinylthio)benzamide is 350.05072 g/mol.
Where can I buy N-(Aminoiminomethyl)-3-(methylsulfonyl)-4-(4-pyridinylthio)benzamide?
You can request a quote for N-(Aminoiminomethyl)-3-(methylsulfonyl)-4-(4-pyridinylthio)benzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(Aminoiminomethyl)-3-(methylsulfonyl)-4-(4-pyridinylthio)benzamide?
Yes, CoreyChem provides custom synthesis services for N-(Aminoiminomethyl)-3-(methylsulfonyl)-4-(4-pyridinylthio)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.