2-((4-Methylphenyl)sulfonyl)-1H-isoindole-1,3(2H)-dione
TL;DR: 2-((4-Methylphenyl)sulfonyl)-1H-isoindole-1,3(2H)-dione (CAS 5471-98-7) is a chemical compound with molecular formula C15H11NO4S and molecular weight 301.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfonylisoindole-1,3-dione
Also Known As: N-Tosylphthalimide, N-(p-Tosyl)phthalimide, Phthalimide, N-(p-tolylsulfonyl)-, N-(p-Tolylsulfonyl)phthalimide, ChemDiv2_000153
| Molecular Formula | C15H11NO4S |
|---|---|
| Molecular Weight | 301.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.0409 |
| Heavy Atoms | 21 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 5471-98-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | XUOVUJLDTKFSEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((4-Methylphenyl)sulfonyl)-1H-isoindole-1,3(2H)-dione (CAS 5471-98-7), with molecular formula C15H11NO4S and molecular weight 301.04 g/mol. IUPAC: 2-(4-methylphenyl)sulfonylisoindole-1,3-dione.
Chemical Property Profile of 2-((4-Methylphenyl)sulfonyl)-1H-isoindole-1,3(2H)-dione
Property Insights of 2-((4-Methylphenyl)sulfonyl)-1H-isoindole-1,3(2H)-dione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Methylphenyl)sulfonyl)-1H-isoindole-1,3(2H)-dione. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Methylphenyl)sulfonyl)-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-((4-Methylphenyl)sulfonyl)-1H-isoindole-1,3(2H)-dione has 0 hydrogen bond donor(s) and 4 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-Methylphenyl)sulfonyl)-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-((4-Methylphenyl)sulfonyl)-1H-isoindole-1,3(2H)-dione is 5471-98-7.
What is the molecular formula of 2-((4-Methylphenyl)sulfonyl)-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-((4-Methylphenyl)sulfonyl)-1H-isoindole-1,3(2H)-dione is C15H11NO4S.
What is the molecular weight of 2-((4-Methylphenyl)sulfonyl)-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-((4-Methylphenyl)sulfonyl)-1H-isoindole-1,3(2H)-dione is 301.04 g/mol.
Where can I buy 2-((4-Methylphenyl)sulfonyl)-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-((4-Methylphenyl)sulfonyl)-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Methylphenyl)sulfonyl)-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Methylphenyl)sulfonyl)-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.