![4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzenesulfonamide structure](/static/products/5001/500119-48-2.webp)
4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzenesulfonamide
TL;DR: 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzenesulfonamide (CAS 500119-48-2) is a chemical compound with molecular formula C13H11N3O4S2 and molecular weight 337.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzenesulfonamide
Also Known As: 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]benzenesulfonamide, 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzenesulfonamide, 4-[(1,1-dioxo-1??,2-benzothiazol-3-yl)amino]benzene-1-sulfonamide, 4-[(7,7-dioxo-7$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,8-tetraen-9-yl)amino]benzenesulfonamide
| Molecular Formula | C13H11N3O4S2 |
|---|---|
| Molecular Weight | 337.02 g/mol |
| LogP | 0.895 |
| Topological Polar Surface Area | 118.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.0191 |
| Heavy Atoms | 22 |
| Complexity | 978.2002 |
Chemical Identifiers
| CAS Number | 500119-48-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC=C(C=C3)S(=O)(=O)N |
Product Overview
4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzenesulfonamide (CAS 500119-48-2), with molecular formula C13H11N3O4S2 and molecular weight 337.02 g/mol. IUPAC: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzenesulfonamide.
Chemical Property Profile of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzenesulfonamide
Property Insights of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzenesulfonamide
The XLogP value of 0.895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzenesulfonamide. The TPSA of 118.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzenesulfonamide. Following Lipinski's Rule of Five, 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzenesulfonamide has 2 hydrogen bond donor(s) and 5 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-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzenesulfonamide?
The CAS number of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzenesulfonamide is 500119-48-2.
What is the molecular formula of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzenesulfonamide?
The molecular formula of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzenesulfonamide is C13H11N3O4S2.
What is the molecular weight of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzenesulfonamide?
The molecular weight of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzenesulfonamide is 337.02 g/mol.
Where can I buy 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzenesulfonamide?
You can request a quote for 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.