N-(1,3-benzothiazol-2-yl)-4-nitrobenzenesulfonamide
TL;DR: N-(1,3-benzothiazol-2-yl)-4-nitrobenzenesulfonamide (CAS 326901-74-0) 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)-4-nitrobenzenesulfonamide
Also Known As: N-(1,3-benzothiazol-2-yl)-4-nitrobenzenesulfonamide, N-(1,3-benzothiazol-2-yl)-4-nitrobenzene-1-sulfonamide, BAS 00315366, benzothiazol-2-yl[(4-nitrophenyl)sulfonyl]amine, N-(benzo[d]thiazol-2-yl)-4-nitrobenzenesulfonamide
| Molecular Formula | C13H9N3O4S2 |
|---|---|
| Molecular Weight | 335.00 g/mol |
| LogP | 3.0053 |
| Topological Polar Surface Area | 102.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.00345 |
| Heavy Atoms | 22 |
| Complexity | 915.83545 |
Chemical Identifiers
| CAS Number | 326901-74-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-(1,3-benzothiazol-2-yl)-4-nitrobenzenesulfonamide (CAS 326901-74-0), with molecular formula C13H9N3O4S2 and molecular weight 335.00 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-4-nitrobenzenesulfonamide.
Chemical Property Profile of N-(1,3-benzothiazol-2-yl)-4-nitrobenzenesulfonamide
Property Insights of N-(1,3-benzothiazol-2-yl)-4-nitrobenzenesulfonamide
The XLogP value of 3.0053 indicates that N-(1,3-benzothiazol-2-yl)-4-nitrobenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzothiazol-2-yl)-4-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-yl)-4-nitrobenzenesulfonamide has 1 hydrogen bond donor(s) and 6 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)-4-nitrobenzenesulfonamide?
The CAS number of N-(1,3-benzothiazol-2-yl)-4-nitrobenzenesulfonamide is 326901-74-0.
What is the molecular formula of N-(1,3-benzothiazol-2-yl)-4-nitrobenzenesulfonamide?
The molecular formula of N-(1,3-benzothiazol-2-yl)-4-nitrobenzenesulfonamide is C13H9N3O4S2.
What is the molecular weight of N-(1,3-benzothiazol-2-yl)-4-nitrobenzenesulfonamide?
The molecular weight of N-(1,3-benzothiazol-2-yl)-4-nitrobenzenesulfonamide is 335.00 g/mol.
Where can I buy N-(1,3-benzothiazol-2-yl)-4-nitrobenzenesulfonamide?
You can request a quote for N-(1,3-benzothiazol-2-yl)-4-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)-4-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzothiazol-2-yl)-4-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.