![5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide structure](/static/products/898/898917-23-2.png)
5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
TL;DR: 5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide (CAS 898917-23-2) is a chemical compound with molecular formula C16H12ClN3O4S and molecular weight 377.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
Also Known As: 5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide, 5-Chloro-N-(4-(cyanomethyl)phenyl)-3-methyl-2-oxo-2,3-dihydrobenzo[d]oxazole-6-sulfonamide, 5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide, 6-benzoxazolesulfonamide, 5-chloro-N-[4-(cyanomethyl)phenyl]-2,3-dihydro-3-methyl-2-oxo-, 5-Chloro-N-4-(cyanomethyl)phenyl-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
| Molecular Formula | C16H12ClN3O4S |
|---|---|
| Molecular Weight | 377.02 g/mol |
| LogP | 2.65178 |
| Topological Polar Surface Area | 105.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.0237 |
| Heavy Atoms | 25 |
| Complexity | 1155.0385 |
Chemical Identifiers
| CAS Number | 898917-23-2 |
|---|---|
| SMILES | CN1C2=CC(=C(C=C2OC1=O)S(=O)(=O)NC3=CC=C(C=C3)CC#N)Cl |
Product Overview
5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide (CAS 898917-23-2), with molecular formula C16H12ClN3O4S and molecular weight 377.02 g/mol. IUPAC: 5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
Chemical Property Profile of 5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Property Insights of 5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
The XLogP value of 2.65178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide. The TPSA of 105.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide. Following Lipinski's Rule of Five, 5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-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
Frequently Asked Questions
What is the CAS number of 5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide?
The CAS number of 5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide is 898917-23-2.
What is the molecular formula of 5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide?
The molecular formula of 5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide is C16H12ClN3O4S.
What is the molecular weight of 5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide?
The molecular weight of 5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide is 377.02 g/mol.
Where can I buy 5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide?
You can request a quote for 5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.