N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-nitrobenzenesulfonamide
TL;DR: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-nitrobenzenesulfonamide (CAS 349623-12-7) is a chemical compound with molecular formula C14H11N3O6S3 and molecular weight 412.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-nitrobenzenesulfonamide
Also Known As: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-nitrobenzenesulfonamide, N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-2-nitrobenzenesulfonamide, N-(6-(methylsulfonyl)benzo[d]thiazol-2-yl)-2-nitrobenzenesulfonamide, N-(6-METHANESULFONYL-1,3-BENZOTHIAZOL-2-YL)-2-NITROBENZENE-1-SULFONAMIDE, N-[(2Z)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]-2-nitrobenzenesulfonamide
| Molecular Formula | C14H11N3O6S3 |
|---|---|
| Molecular Weight | 412.98 g/mol |
| LogP | 2.4088 |
| Topological Polar Surface Area | 136.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.981 |
| Heavy Atoms | 26 |
| Complexity | 1231.8007 |
Chemical Identifiers
| CAS Number | 349623-12-7 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-nitrobenzenesulfonamide (CAS 349623-12-7), with molecular formula C14H11N3O6S3 and molecular weight 412.98 g/mol. IUPAC: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-nitrobenzenesulfonamide.
Chemical Property Profile of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-nitrobenzenesulfonamide
Property Insights of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-nitrobenzenesulfonamide
The XLogP value of 2.4088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-nitrobenzenesulfonamide. The TPSA of 136.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-nitrobenzenesulfonamide has 1 hydrogen bond donor(s) and 8 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-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-nitrobenzenesulfonamide?
The CAS number of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-nitrobenzenesulfonamide is 349623-12-7.
What is the molecular formula of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-nitrobenzenesulfonamide?
The molecular formula of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-nitrobenzenesulfonamide is C14H11N3O6S3.
What is the molecular weight of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-nitrobenzenesulfonamide?
The molecular weight of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-nitrobenzenesulfonamide is 412.98 g/mol.
Where can I buy N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-nitrobenzenesulfonamide?
You can request a quote for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-nitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.