1-Benzenesulfonyl-4-chloro-2-nitro-benzene
TL;DR: 1-Benzenesulfonyl-4-chloro-2-nitro-benzene (CAS 87395-64-0) 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.
1-(benzenesulfonyl)-4-chloro-2-nitrobenzene
Also Known As: BTB1, 4-Chloro-2-nitro-1-(phenylsulfonyl)benzene, 1-(benzenesulfonyl)-4-chloro-2-nitrobenzene, 5-MethylSalicylamide, BTB 1
| Molecular Formula | C12H8ClNO4S |
|---|---|
| Molecular Weight | 296.99 g/mol |
| LogP | 3.3 |
| 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 | 87395-64-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | VZDUQPHKUBZMLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzenesulfonyl-4-chloro-2-nitro-benzene (CAS 87395-64-0), with molecular formula C12H8ClNO4S and molecular weight 296.99 g/mol. IUPAC: 1-(benzenesulfonyl)-4-chloro-2-nitrobenzene.
Chemical Property Profile of 1-Benzenesulfonyl-4-chloro-2-nitro-benzene
Property Insights of 1-Benzenesulfonyl-4-chloro-2-nitro-benzene
The XLogP value of 3.3 indicates that 1-Benzenesulfonyl-4-chloro-2-nitro-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-Benzenesulfonyl-4-chloro-2-nitro-benzene. Following Lipinski's Rule of Five, 1-Benzenesulfonyl-4-chloro-2-nitro-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-Benzenesulfonyl-4-chloro-2-nitro-benzene?
The CAS number of 1-Benzenesulfonyl-4-chloro-2-nitro-benzene is 87395-64-0.
What is the molecular formula of 1-Benzenesulfonyl-4-chloro-2-nitro-benzene?
The molecular formula of 1-Benzenesulfonyl-4-chloro-2-nitro-benzene is C12H8ClNO4S.
What is the molecular weight of 1-Benzenesulfonyl-4-chloro-2-nitro-benzene?
The molecular weight of 1-Benzenesulfonyl-4-chloro-2-nitro-benzene is 296.99 g/mol.
Where can I buy 1-Benzenesulfonyl-4-chloro-2-nitro-benzene?
You can request a quote for 1-Benzenesulfonyl-4-chloro-2-nitro-benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzenesulfonyl-4-chloro-2-nitro-benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzenesulfonyl-4-chloro-2-nitro-benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.