2-(4-Chlorobenzoylimino)-3-methyl-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide
TL;DR: 2-(4-Chlorobenzoylimino)-3-methyl-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide (CAS 55217-94-2) is a chemical compound with molecular formula C10H9ClN4O3S2 and molecular weight 331.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)benzamide
Also Known As: 4-CHLORO-N- BENZAMIDE, 2-(4-Chlorobenzoylimino)-3-methyl-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide, 5-(4-Chlorobenzoylimino)-4-methyl-delta(sup 2)-1,3,4-thiadiazoline-2-sulfonamide, Benzamide, 4-chloro-N-(4-methyl-2-sulfamoyl-delta(sup 2)-1,3,4-thiadiazolin-5-ylidene)-, 4-chloro-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)benzamide
| Molecular Formula | C10H9ClN4O3S2 |
|---|---|
| Molecular Weight | 331.98 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.98047 |
| Heavy Atoms | 20 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 55217-94-2 |
|---|---|
| SMILES | CN1C(=NC(=O)C2=CC=C(C=C2)Cl)SC(=N1)S(=O)(=O)N |
| InChIKey | MDQNAHFKGIEHHZ-UHFFFAOYSA-N |
Product Overview
2-(4-Chlorobenzoylimino)-3-methyl-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide (CAS 55217-94-2), with molecular formula C10H9ClN4O3S2 and molecular weight 331.98 g/mol. IUPAC: 4-chloro-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)benzamide.
Chemical Property Profile of 2-(4-Chlorobenzoylimino)-3-methyl-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide
Property Insights of 2-(4-Chlorobenzoylimino)-3-methyl-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorobenzoylimino)-3-methyl-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Chlorobenzoylimino)-3-methyl-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide. Following Lipinski's Rule of Five, 2-(4-Chlorobenzoylimino)-3-methyl-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide 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 2-(4-Chlorobenzoylimino)-3-methyl-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide?
The CAS number of 2-(4-Chlorobenzoylimino)-3-methyl-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide is 55217-94-2.
What is the molecular formula of 2-(4-Chlorobenzoylimino)-3-methyl-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide?
The molecular formula of 2-(4-Chlorobenzoylimino)-3-methyl-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide is C10H9ClN4O3S2.
What is the molecular weight of 2-(4-Chlorobenzoylimino)-3-methyl-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide?
The molecular weight of 2-(4-Chlorobenzoylimino)-3-methyl-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide is 331.98 g/mol.
Where can I buy 2-(4-Chlorobenzoylimino)-3-methyl-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide?
You can request a quote for 2-(4-Chlorobenzoylimino)-3-methyl-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorobenzoylimino)-3-methyl-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorobenzoylimino)-3-methyl-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.