4-Methyl-N-(7-nitro-1,3-benzothiazol-6-yl)benzene-1-sulfonamide
TL;DR: 4-Methyl-N-(7-nitro-1,3-benzothiazol-6-yl)benzene-1-sulfonamide (CAS 798-25-4) is a chemical compound with molecular formula C14H11N3O4S2 and molecular weight 349.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-(7-nitro-1,3-benzothiazol-6-yl)benzenesulfonamide
Also Known As: 4-methyl-N-(7-nitro-1,3-benzothiazol-6-yl)benzenesulfonamide, 4-Methyl-N-(7-nitro-1,3-benzothiazol-6-yl)benzene-1-sulfonamide
| Molecular Formula | C14H11N3O4S2 |
|---|---|
| Molecular Weight | 349.02 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.0191 |
| Heavy Atoms | 23 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 798-25-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C3=C(C=C2)N=CS3)[N+](=O)[O-] |
| InChIKey | HVMGIRGLHQOERE-UHFFFAOYSA-N |
Product Overview
4-Methyl-N-(7-nitro-1,3-benzothiazol-6-yl)benzene-1-sulfonamide (CAS 798-25-4), with molecular formula C14H11N3O4S2 and molecular weight 349.02 g/mol. IUPAC: 4-methyl-N-(7-nitro-1,3-benzothiazol-6-yl)benzenesulfonamide.
Chemical Property Profile of 4-Methyl-N-(7-nitro-1,3-benzothiazol-6-yl)benzene-1-sulfonamide
Property Insights of 4-Methyl-N-(7-nitro-1,3-benzothiazol-6-yl)benzene-1-sulfonamide
The XLogP value of 3.6 indicates that 4-Methyl-N-(7-nitro-1,3-benzothiazol-6-yl)benzene-1-sulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting 4-Methyl-N-(7-nitro-1,3-benzothiazol-6-yl)benzene-1-sulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Methyl-N-(7-nitro-1,3-benzothiazol-6-yl)benzene-1-sulfonamide 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-(7-nitro-1,3-benzothiazol-6-yl)benzene-1-sulfonamide?
The CAS number of 4-Methyl-N-(7-nitro-1,3-benzothiazol-6-yl)benzene-1-sulfonamide is 798-25-4.
What is the molecular formula of 4-Methyl-N-(7-nitro-1,3-benzothiazol-6-yl)benzene-1-sulfonamide?
The molecular formula of 4-Methyl-N-(7-nitro-1,3-benzothiazol-6-yl)benzene-1-sulfonamide is C14H11N3O4S2.
What is the molecular weight of 4-Methyl-N-(7-nitro-1,3-benzothiazol-6-yl)benzene-1-sulfonamide?
The molecular weight of 4-Methyl-N-(7-nitro-1,3-benzothiazol-6-yl)benzene-1-sulfonamide is 349.02 g/mol.
Where can I buy 4-Methyl-N-(7-nitro-1,3-benzothiazol-6-yl)benzene-1-sulfonamide?
You can request a quote for 4-Methyl-N-(7-nitro-1,3-benzothiazol-6-yl)benzene-1-sulfonamide 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-(7-nitro-1,3-benzothiazol-6-yl)benzene-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-N-(7-nitro-1,3-benzothiazol-6-yl)benzene-1-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.