N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide
TL;DR: N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide (CAS 100138-91-8) is a chemical compound with molecular formula C12H15N3O3S2 and molecular weight 313.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
Also Known As: BAS 05276904, AJ-292/41694221, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide, 4-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide, [(4-methoxyphenyl)sulfonyl][5-(methylethyl)(1,3,4-thiadiazol-2-yl)]amine
| Molecular Formula | C12H15N3O3S2 |
|---|---|
| Molecular Weight | 313.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.05548 |
| Heavy Atoms | 20 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 100138-91-8 |
|---|---|
| SMILES | CC(C)C1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)OC |
| InChIKey | DCOUGMGNHGFYQI-UHFFFAOYSA-N |
Product Overview
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide (CAS 100138-91-8), with molecular formula C12H15N3O3S2 and molecular weight 313.06 g/mol. IUPAC: 4-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
Chemical Property Profile of N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide
Property Insights of N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide. Following Lipinski's Rule of Five, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide 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-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide?
The CAS number of N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide is 100138-91-8.
What is the molecular formula of N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide?
The molecular formula of N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide is C12H15N3O3S2.
What is the molecular weight of N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide?
The molecular weight of N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide is 313.06 g/mol.
Where can I buy N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide?
You can request a quote for N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.