1-Chloro-2-nitro-4-(phenylsulfonyl)benzene
TL;DR: 1-Chloro-2-nitro-4-(phenylsulfonyl)benzene (CAS 4779-36-6) is a chemical compound with molecular formula C12H8ClNO4S and molecular weight 296.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfonyl)-1-chloro-2-nitrobenzene
Also Known As: 1-Chloro-2-nitro-4-(phenylsulfonyl)benzene, 4-(benzenesulfonyl)-1-chloro-2-nitrobenzene, 4-Chloro-3-nitrophenyl phenylsulfone, 6-Nitro-4-phenylsulfonylchlorobenzene, Benzene, 1-chloro-2-nitro-4-(phenylsulfonyl)-
| Molecular Formula | C12H8ClNO4S |
|---|---|
| Molecular Weight | 296.99 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.98627 |
| Heavy Atoms | 19 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 4779-36-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | RUZCDLMYLTUSGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-2-nitro-4-(phenylsulfonyl)benzene (CAS 4779-36-6), with molecular formula C12H8ClNO4S and molecular weight 296.99 g/mol. IUPAC: 4-(benzenesulfonyl)-1-chloro-2-nitrobenzene.
Chemical Property Profile of 1-Chloro-2-nitro-4-(phenylsulfonyl)benzene
Property Insights of 1-Chloro-2-nitro-4-(phenylsulfonyl)benzene
The XLogP value of 3.1 indicates that 1-Chloro-2-nitro-4-(phenylsulfonyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Chloro-2-nitro-4-(phenylsulfonyl)benzene. Following Lipinski's Rule of Five, 1-Chloro-2-nitro-4-(phenylsulfonyl)benzene 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 1-Chloro-2-nitro-4-(phenylsulfonyl)benzene?
The CAS number of 1-Chloro-2-nitro-4-(phenylsulfonyl)benzene is 4779-36-6.
What is the molecular formula of 1-Chloro-2-nitro-4-(phenylsulfonyl)benzene?
The molecular formula of 1-Chloro-2-nitro-4-(phenylsulfonyl)benzene is C12H8ClNO4S.
What is the molecular weight of 1-Chloro-2-nitro-4-(phenylsulfonyl)benzene?
The molecular weight of 1-Chloro-2-nitro-4-(phenylsulfonyl)benzene is 296.99 g/mol.
Where can I buy 1-Chloro-2-nitro-4-(phenylsulfonyl)benzene?
You can request a quote for 1-Chloro-2-nitro-4-(phenylsulfonyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-2-nitro-4-(phenylsulfonyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2-nitro-4-(phenylsulfonyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.