N-(1,3-Benzothiazol-2-yl)-2-nitrobenzenesulfonamide
TL;DR: N-(1,3-Benzothiazol-2-yl)-2-nitrobenzenesulfonamide (CAS 159048-89-2) is a chemical compound with molecular formula C13H9N3O4S2 and molecular weight 335.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-2-nitrobenzenesulfonamide
Also Known As: N-(1,3-Benzothiazol-2-yl)-2-nitrobenzenesulfonamide, benzothiazol-2-yl[(2-nitrophenyl)sulfonyl]amine, Benzenesulfonamide, N-(2-benzothiazolyl)-2-nitro-, N-(1,3-Benzothiazol-2-yl)-2-nitrobenzenesulfonamide #, N-(1,3-BENZOTHIAZOL-2-YL)-2-NITRO-1-BENZENESULFONAMIDE
| Molecular Formula | C13H9N3O4S2 |
|---|---|
| Molecular Weight | 335.00 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.00345 |
| Heavy Atoms | 22 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 159048-89-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] |
| InChIKey | ZMTJOCZNGVRAOZ-UHFFFAOYSA-N |
Product Overview
N-(1,3-Benzothiazol-2-yl)-2-nitrobenzenesulfonamide (CAS 159048-89-2), with molecular formula C13H9N3O4S2 and molecular weight 335.00 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2-nitrobenzenesulfonamide.
Chemical Property Profile of N-(1,3-Benzothiazol-2-yl)-2-nitrobenzenesulfonamide
Property Insights of N-(1,3-Benzothiazol-2-yl)-2-nitrobenzenesulfonamide
The XLogP value of 3.1 indicates that N-(1,3-Benzothiazol-2-yl)-2-nitrobenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting N-(1,3-Benzothiazol-2-yl)-2-nitrobenzenesulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(1,3-Benzothiazol-2-yl)-2-nitrobenzenesulfonamide 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-(1,3-Benzothiazol-2-yl)-2-nitrobenzenesulfonamide?
The CAS number of N-(1,3-Benzothiazol-2-yl)-2-nitrobenzenesulfonamide is 159048-89-2.
What is the molecular formula of N-(1,3-Benzothiazol-2-yl)-2-nitrobenzenesulfonamide?
The molecular formula of N-(1,3-Benzothiazol-2-yl)-2-nitrobenzenesulfonamide is C13H9N3O4S2.
What is the molecular weight of N-(1,3-Benzothiazol-2-yl)-2-nitrobenzenesulfonamide?
The molecular weight of N-(1,3-Benzothiazol-2-yl)-2-nitrobenzenesulfonamide is 335.00 g/mol.
Where can I buy N-(1,3-Benzothiazol-2-yl)-2-nitrobenzenesulfonamide?
You can request a quote for N-(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-(1,3-Benzothiazol-2-yl)-2-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-Benzothiazol-2-yl)-2-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.