(4-Acetamidophenylsulphonyl)nitromethane
TL;DR: (4-Acetamidophenylsulphonyl)nitromethane (CAS 66073-99-2) is a chemical compound with molecular formula C9H10N2O5S and molecular weight 258.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(nitromethylsulfonyl)phenyl]acetamide
Also Known As: (4-acetamidophenylsulfonyl)nitromethane, N-[4-(nitromethylsulfonyl)phenyl]acetamide, (4-Acetamidophenylsulphonyl)nitromethane, N-(4-nitromethanesulfonylphenyl)acetamide, J1.182.642C
| Molecular Formula | C9H10N2O5S |
|---|---|
| Molecular Weight | 258.03 g/mol |
| LogP | 0.6529 |
| Topological Polar Surface Area | 106.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.03104 |
| Heavy Atoms | 17 |
| Complexity | 535.0096 |
Chemical Identifiers
| CAS Number | 66073-99-2 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C[N+](=O)[O-] |
Product Overview
(4-Acetamidophenylsulphonyl)nitromethane (CAS 66073-99-2), with molecular formula C9H10N2O5S and molecular weight 258.03 g/mol. IUPAC: N-[4-(nitromethylsulfonyl)phenyl]acetamide.
Chemical Property Profile of (4-Acetamidophenylsulphonyl)nitromethane
Property Insights of (4-Acetamidophenylsulphonyl)nitromethane
The XLogP value of 0.6529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Acetamidophenylsulphonyl)nitromethane. The TPSA of 106.38 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Acetamidophenylsulphonyl)nitromethane. Following Lipinski's Rule of Five, (4-Acetamidophenylsulphonyl)nitromethane has 1 hydrogen bond donor(s) and 5 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-Acetamidophenylsulphonyl)nitromethane?
The CAS number of (4-Acetamidophenylsulphonyl)nitromethane is 66073-99-2.
What is the molecular formula of (4-Acetamidophenylsulphonyl)nitromethane?
The molecular formula of (4-Acetamidophenylsulphonyl)nitromethane is C9H10N2O5S.
What is the molecular weight of (4-Acetamidophenylsulphonyl)nitromethane?
The molecular weight of (4-Acetamidophenylsulphonyl)nitromethane is 258.03 g/mol.
Where can I buy (4-Acetamidophenylsulphonyl)nitromethane?
You can request a quote for (4-Acetamidophenylsulphonyl)nitromethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Acetamidophenylsulphonyl)nitromethane?
Yes, KEHONG BIO provides custom synthesis services for (4-Acetamidophenylsulphonyl)nitromethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.