2-Nitrophenyl phenyl sulfone
TL;DR: 2-Nitrophenyl phenyl sulfone (CAS 31515-43-2) is a chemical compound with molecular formula C12H9NO4S and molecular weight 263.02524 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(benzenesulfonyl)-2-nitrobenzene
Also Known As: 1-Nitro-2-(phenylsulfonyl)benzene, 2-Nitrophenyl phenyl sulfone, 2-Nitrodiphenyl Sulfone, 1-(benzenesulfonyl)-2-nitrobenzene, 2-Nitro diphenyl sulfone
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H9NO4S |
| Molecular Weight | 263.02524 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.02524 Da |
| Heavy Atoms | 18 |
| Complexity | 389.0 |
| Solubility | >39.5 [ug/mL] (The mean of the results at pH 7.4) |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | GKNMUCPEXSCGKC-UHFFFAOYSA-N |
Chemical Property Profile of 2-Nitrophenyl phenyl sulfone
Property Insights of 2-Nitrophenyl phenyl sulfone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrophenyl phenyl sulfone. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrophenyl phenyl sulfone. Following Lipinski's Rule of Five, 2-Nitrophenyl phenyl sulfone 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
What is the CAS number of 2-Nitrophenyl phenyl sulfone?
The CAS number of 2-Nitrophenyl phenyl sulfone is 31515-43-2.
What is the molecular formula of 2-Nitrophenyl phenyl sulfone?
The molecular formula of 2-Nitrophenyl phenyl sulfone is C12H9NO4S.
What is the molecular weight of 2-Nitrophenyl phenyl sulfone?
The molecular weight of 2-Nitrophenyl phenyl sulfone is 263.02524 g/mol.
Where can I buy 2-Nitrophenyl phenyl sulfone?
You can request a quote for 2-Nitrophenyl phenyl sulfone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Nitrophenyl phenyl sulfone?
Yes, CoreyChem provides custom synthesis services for 2-Nitrophenyl phenyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.