1-Chloro-3-(phenylsulfonyl)benzene
TL;DR: 1-Chloro-3-(phenylsulfonyl)benzene (CAS 16928-99-7) is a chemical compound with molecular formula C12H9ClO2S and molecular weight 252.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-3-chlorobenzene
Also Known As: 1-chloro-3-(phenylsulfonyl)benzene, 3-Chlorophenylphenyl sulfone, phenyl(3-chlorophenyl)sulfone, (3-Chlorophenyl)phenyl sulfone, Phenyl(3-chlorophenyl) sulfone
| Molecular Formula | C12H9ClO2S |
|---|---|
| Molecular Weight | 252.00 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.00117 |
| Heavy Atoms | 16 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 16928-99-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=CC(=CC=C2)Cl |
| InChIKey | OGCCIODETQYYLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-3-(phenylsulfonyl)benzene (CAS 16928-99-7), with molecular formula C12H9ClO2S and molecular weight 252.00 g/mol. IUPAC: 1-(benzenesulfonyl)-3-chlorobenzene.
Chemical Property Profile of 1-Chloro-3-(phenylsulfonyl)benzene
Property Insights of 1-Chloro-3-(phenylsulfonyl)benzene
The XLogP value of 3.5 indicates that 1-Chloro-3-(phenylsulfonyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 1-Chloro-3-(phenylsulfonyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3-(phenylsulfonyl)benzene has 0 hydrogen bond donor(s) and 2 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-3-(phenylsulfonyl)benzene?
The CAS number of 1-Chloro-3-(phenylsulfonyl)benzene is 16928-99-7.
What is the molecular formula of 1-Chloro-3-(phenylsulfonyl)benzene?
The molecular formula of 1-Chloro-3-(phenylsulfonyl)benzene is C12H9ClO2S.
What is the molecular weight of 1-Chloro-3-(phenylsulfonyl)benzene?
The molecular weight of 1-Chloro-3-(phenylsulfonyl)benzene is 252.00 g/mol.
Where can I buy 1-Chloro-3-(phenylsulfonyl)benzene?
You can request a quote for 1-Chloro-3-(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-3-(phenylsulfonyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3-(phenylsulfonyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.