4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
TL;DR: 4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide (CAS 349616-75-7) is a chemical compound with molecular formula C16H13N3O5S2 and molecular weight 391.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
Also Known As: F0915-5786, N-(6-METHANESULFONYL-1,3-BENZOTHIAZOL-2-YL)-4-METHYL-3-NITROBENZAMIDE, 4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide, 4-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-3-nitrobenzamide, 4-methyl-N-(6-(methylsulfonyl)benzo[d]thiazol-2-yl)-3-nitrobenzamide
| Molecular Formula | C16H13N3O5S2 |
|---|---|
| Molecular Weight | 391.03 g/mol |
| LogP | 3.16872 |
| Topological Polar Surface Area | 119.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.02966 |
| Heavy Atoms | 26 |
| Complexity | 1151.9016 |
Chemical Identifiers
| CAS Number | 349616-75-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-] |
Product Overview
4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide (CAS 349616-75-7), with molecular formula C16H13N3O5S2 and molecular weight 391.03 g/mol. IUPAC: 4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide.
Chemical Property Profile of 4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
Property Insights of 4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
The XLogP value of 3.16872 indicates that 4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-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 4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, 4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-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 4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
The CAS number of 4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide is 349616-75-7.
What is the molecular formula of 4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
The molecular formula of 4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide is C16H13N3O5S2.
What is the molecular weight of 4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
The molecular weight of 4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide is 391.03 g/mol.
Where can I buy 4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
You can request a quote for 4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.