N-(4-Chloro-2-(hydroxy(oxido)amino)phenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide
TL;DR: N-(4-Chloro-2-(hydroxy(oxido)amino)phenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide (CAS 78633-49-5) is a chemical compound with molecular formula C14H10ClN3O6S and molecular weight 383.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-nitrophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
Also Known As: N-(4-Chloro-2-(hydroxy(oxido)amino)phenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide, N-(4-chloro-2-nitrophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide, N- -2,3-dihydro-3-methyl-2-oxo-5-benzoxazolesulfonamide, N-(4-chloro-2-nitrophenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide, N-(4-Chloro-2-nitrophenyl)-2,3-dihydro-3-methyl-2-oxo-5-benzoxazolesulfonamide
| Molecular Formula | C14H10ClN3O6S |
|---|---|
| Molecular Weight | 383.00 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.9979 |
| Heavy Atoms | 25 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 78633-49-5 |
|---|---|
| SMILES | CN1C2=C(C=CC(=C2)S(=O)(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC1=O |
| InChIKey | NTIGDIYFGUZIAZ-UHFFFAOYSA-N |
Product Overview
N-(4-Chloro-2-(hydroxy(oxido)amino)phenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide (CAS 78633-49-5), with molecular formula C14H10ClN3O6S and molecular weight 383.00 g/mol. IUPAC: N-(4-chloro-2-nitrophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.
Chemical Property Profile of N-(4-Chloro-2-(hydroxy(oxido)amino)phenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide
Property Insights of N-(4-Chloro-2-(hydroxy(oxido)amino)phenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-Chloro-2-(hydroxy(oxido)amino)phenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Chloro-2-(hydroxy(oxido)amino)phenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide. Following Lipinski's Rule of Five, N-(4-Chloro-2-(hydroxy(oxido)amino)phenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide has 1 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 N-(4-Chloro-2-(hydroxy(oxido)amino)phenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide?
The CAS number of N-(4-Chloro-2-(hydroxy(oxido)amino)phenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide is 78633-49-5.
What is the molecular formula of N-(4-Chloro-2-(hydroxy(oxido)amino)phenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide?
The molecular formula of N-(4-Chloro-2-(hydroxy(oxido)amino)phenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide is C14H10ClN3O6S.
What is the molecular weight of N-(4-Chloro-2-(hydroxy(oxido)amino)phenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide?
The molecular weight of N-(4-Chloro-2-(hydroxy(oxido)amino)phenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide is 383.00 g/mol.
Where can I buy N-(4-Chloro-2-(hydroxy(oxido)amino)phenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide?
You can request a quote for N-(4-Chloro-2-(hydroxy(oxido)amino)phenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Chloro-2-(hydroxy(oxido)amino)phenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Chloro-2-(hydroxy(oxido)amino)phenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.