(4-(Chloro(phenylsulfonyl)methyl)phenyl)(hydroxy)azane oxide
TL;DR: (4-(Chloro(phenylsulfonyl)methyl)phenyl)(hydroxy)azane oxide (CAS 7693-38-1) is a chemical compound with molecular formula C13H10ClNO4S and molecular weight 311.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[benzenesulfonyl(chloro)methyl]-4-nitrobenzene
Also Known As: (4-(Chloro(phenylsulfonyl)methyl)phenyl)(hydroxy)azane oxide, 1-[benzenesulfonyl(chloro)methyl]-4-nitrobenzene, 1-(chloro-phenylsulfonylmethyl)-4-nitrobenzene, 1-[benzenesulfonyl(chloro)methyl]-4-nitro-benzene, Benzene, 1-[chloro(phenylsulfonyl)methyl]-4-nitro-
| Molecular Formula | C13H10ClNO4S |
|---|---|
| Molecular Weight | 311.00 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.0019 |
| Heavy Atoms | 20 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 7693-38-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C(C2=CC=C(C=C2)[N+](=O)[O-])Cl |
| InChIKey | BVTJVRXMCWRZKE-UHFFFAOYSA-N |
Product Overview
(4-(Chloro(phenylsulfonyl)methyl)phenyl)(hydroxy)azane oxide (CAS 7693-38-1), with molecular formula C13H10ClNO4S and molecular weight 311.00 g/mol. IUPAC: 1-[benzenesulfonyl(chloro)methyl]-4-nitrobenzene.
Chemical Property Profile of (4-(Chloro(phenylsulfonyl)methyl)phenyl)(hydroxy)azane oxide
Property Insights of (4-(Chloro(phenylsulfonyl)methyl)phenyl)(hydroxy)azane oxide
The XLogP value of 3.2 indicates that (4-(Chloro(phenylsulfonyl)methyl)phenyl)(hydroxy)azane oxide 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 (4-(Chloro(phenylsulfonyl)methyl)phenyl)(hydroxy)azane oxide. Following Lipinski's Rule of Five, (4-(Chloro(phenylsulfonyl)methyl)phenyl)(hydroxy)azane oxide 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 (4-(Chloro(phenylsulfonyl)methyl)phenyl)(hydroxy)azane oxide?
The CAS number of (4-(Chloro(phenylsulfonyl)methyl)phenyl)(hydroxy)azane oxide is 7693-38-1.
What is the molecular formula of (4-(Chloro(phenylsulfonyl)methyl)phenyl)(hydroxy)azane oxide?
The molecular formula of (4-(Chloro(phenylsulfonyl)methyl)phenyl)(hydroxy)azane oxide is C13H10ClNO4S.
What is the molecular weight of (4-(Chloro(phenylsulfonyl)methyl)phenyl)(hydroxy)azane oxide?
The molecular weight of (4-(Chloro(phenylsulfonyl)methyl)phenyl)(hydroxy)azane oxide is 311.00 g/mol.
Where can I buy (4-(Chloro(phenylsulfonyl)methyl)phenyl)(hydroxy)azane oxide?
You can request a quote for (4-(Chloro(phenylsulfonyl)methyl)phenyl)(hydroxy)azane oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-(Chloro(phenylsulfonyl)methyl)phenyl)(hydroxy)azane oxide?
Yes, KEHONG BIO provides custom synthesis services for (4-(Chloro(phenylsulfonyl)methyl)phenyl)(hydroxy)azane oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.