2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
TL;DR: 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide (CAS 289062-93-7) is a chemical compound with molecular formula C15H10ClN3O5S2 and molecular weight 410.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
Also Known As: 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide, 2-chloro-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-4-nitrobenzamide, 2-chloro-N-(6-(methylsulfonyl)benzo[d]thiazol-2-yl)-4-nitrobenzamide, (2-chloro-4-nitrophenyl)-N-[6-(methylsulfonyl)benzothiazol-2-yl]carboxamide, 2-chloro-N-[(2E)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]-4-nitrobenzamide
| Molecular Formula | C15H10ClN3O5S2 |
|---|---|
| Molecular Weight | 410.98 g/mol |
| LogP | 3.5137 |
| Topological Polar Surface Area | 119.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.97504 |
| Heavy Atoms | 26 |
| Complexity | 1157.2983 |
Chemical Identifiers
| CAS Number | 289062-93-7 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide (CAS 289062-93-7), with molecular formula C15H10ClN3O5S2 and molecular weight 410.98 g/mol. IUPAC: 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide.
Chemical Property Profile of 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
Property Insights of 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
The XLogP value of 3.5137 indicates that 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide. Following Lipinski's Rule of Five, 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide 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 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
The CAS number of 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide is 289062-93-7.
What is the molecular formula of 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
The molecular formula of 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide is C15H10ClN3O5S2.
What is the molecular weight of 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
The molecular weight of 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide is 410.98 g/mol.
Where can I buy 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
You can request a quote for 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.