4-Chlorophenyl 2-nitrobenzenesulfonate
TL;DR: 4-Chlorophenyl 2-nitrobenzenesulfonate (CAS 147879-79-6) is a chemical compound with molecular formula C12H8ClNO5S and molecular weight 312.98117 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-chlorophenyl) 2-nitrobenzenesulfonate
Also Known As: 4-Chlorophenyl 2-nitrobenzenesulfonate, (4-chlorophenyl) 2-nitrobenzenesulfonate, 4-chlorophenyl 2-nitrobenzene-1-sulfonate, benzenesulfonic acid, 2-nitro-, 4-chlorophenyl ester, 4-Chlorophenyl 2-(hydroxy(oxido)amino)benzenesulfonate
Technical Specifications
| Molecular Formula | C12H8ClNO5S |
| Molecular Weight | 312.98117 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.98117 Da |
| Heavy Atoms | 20 |
| Complexity | 436.0 |
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)Cl |
| InChIKey | ADAXTQPIUPUSAN-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chlorophenyl 2-nitrobenzenesulfonate
Property Insights of 4-Chlorophenyl 2-nitrobenzenesulfonate
The XLogP value of 3.5 indicates that 4-Chlorophenyl 2-nitrobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chlorophenyl 2-nitrobenzenesulfonate. Following Lipinski's Rule of Five, 4-Chlorophenyl 2-nitrobenzenesulfonate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Chlorophenyl 2-nitrobenzenesulfonate?
The CAS number of 4-Chlorophenyl 2-nitrobenzenesulfonate is 147879-79-6.
What is the molecular formula of 4-Chlorophenyl 2-nitrobenzenesulfonate?
The molecular formula of 4-Chlorophenyl 2-nitrobenzenesulfonate is C12H8ClNO5S.
What is the molecular weight of 4-Chlorophenyl 2-nitrobenzenesulfonate?
The molecular weight of 4-Chlorophenyl 2-nitrobenzenesulfonate is 312.98117 g/mol.
Where can I buy 4-Chlorophenyl 2-nitrobenzenesulfonate?
You can request a quote for 4-Chlorophenyl 2-nitrobenzenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chlorophenyl 2-nitrobenzenesulfonate?
Yes, CoreyChem provides custom synthesis services for 4-Chlorophenyl 2-nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.