N-(3-chlorophenyl)-2-sulfanyl-1,3-benzoxazole-5-sulfonamide
TL;DR: N-(3-chlorophenyl)-2-sulfanyl-1,3-benzoxazole-5-sulfonamide (CAS 438030-98-9) is a chemical compound with molecular formula C13H9ClN2O3S2 and molecular weight 339.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-sulfanylidene-3H-1,3-benzoxazole-5-sulfonamide
Also Known As: N-(3-chlorophenyl)-2-sulfanyl-1,3-benzoxazole-5-sulfonamide, 2-Mercapto-benzooxazole-5-sulfonic acid (3-chloro-phenyl)-amide, N-(3-chlorophenyl)-2-sulfanylidene-3H-1,3-benzoxazole-5-sulfonamide, N-(3-chlorophenyl)-2-thioxo-3H-1,3-benzoxazole-5-sulfonamide
| Molecular Formula | C13H9ClN2O3S2 |
|---|---|
| Molecular Weight | 339.97 g/mol |
| LogP | 3.94459 |
| Topological Polar Surface Area | 75.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.9743 |
| Heavy Atoms | 21 |
| Complexity | 976.2451 |
Chemical Identifiers
| CAS Number | 438030-98-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NS(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3 |
Product Overview
N-(3-chlorophenyl)-2-sulfanyl-1,3-benzoxazole-5-sulfonamide (CAS 438030-98-9), with molecular formula C13H9ClN2O3S2 and molecular weight 339.97 g/mol. IUPAC: N-(3-chlorophenyl)-2-sulfanylidene-3H-1,3-benzoxazole-5-sulfonamide.
Chemical Property Profile of N-(3-chlorophenyl)-2-sulfanyl-1,3-benzoxazole-5-sulfonamide
Property Insights of N-(3-chlorophenyl)-2-sulfanyl-1,3-benzoxazole-5-sulfonamide
The XLogP value of 3.94459 indicates that N-(3-chlorophenyl)-2-sulfanyl-1,3-benzoxazole-5-sulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chlorophenyl)-2-sulfanyl-1,3-benzoxazole-5-sulfonamide. Following Lipinski's Rule of Five, N-(3-chlorophenyl)-2-sulfanyl-1,3-benzoxazole-5-sulfonamide has 2 hydrogen bond donor(s) and 4 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-(3-chlorophenyl)-2-sulfanyl-1,3-benzoxazole-5-sulfonamide?
The CAS number of N-(3-chlorophenyl)-2-sulfanyl-1,3-benzoxazole-5-sulfonamide is 438030-98-9.
What is the molecular formula of N-(3-chlorophenyl)-2-sulfanyl-1,3-benzoxazole-5-sulfonamide?
The molecular formula of N-(3-chlorophenyl)-2-sulfanyl-1,3-benzoxazole-5-sulfonamide is C13H9ClN2O3S2.
What is the molecular weight of N-(3-chlorophenyl)-2-sulfanyl-1,3-benzoxazole-5-sulfonamide?
The molecular weight of N-(3-chlorophenyl)-2-sulfanyl-1,3-benzoxazole-5-sulfonamide is 339.97 g/mol.
Where can I buy N-(3-chlorophenyl)-2-sulfanyl-1,3-benzoxazole-5-sulfonamide?
You can request a quote for N-(3-chlorophenyl)-2-sulfanyl-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-(3-chlorophenyl)-2-sulfanyl-1,3-benzoxazole-5-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chlorophenyl)-2-sulfanyl-1,3-benzoxazole-5-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.