((Nitromethyl)sulphonyl)benzene
TL;DR: ((Nitromethyl)sulphonyl)benzene (CAS 21272-85-5) is a chemical compound with molecular formula C7H7NO4S and molecular weight 201.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
nitromethylsulfonylbenzene
Also Known As: Nitromethyl phenyl sulfone, Nitromethylsulfonylbenzene, Benzenesulphonyl nitromethane, NITROMETHYLPHENYLSULFONE, ((Nitromethyl)sulphonyl)benzene
| Molecular Formula | C7H7NO4S |
|---|---|
| Molecular Weight | 201.01 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.00958 |
| Heavy Atoms | 13 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 21272-85-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C[N+](=O)[O-] |
| InChIKey | ADKLJTCVZHUANG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
((Nitromethyl)sulphonyl)benzene (CAS 21272-85-5), with molecular formula C7H7NO4S and molecular weight 201.01 g/mol. IUPAC: nitromethylsulfonylbenzene.
Chemical Property Profile of ((Nitromethyl)sulphonyl)benzene
Property Insights of ((Nitromethyl)sulphonyl)benzene
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((Nitromethyl)sulphonyl)benzene. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ((Nitromethyl)sulphonyl)benzene. Following Lipinski's Rule of Five, ((Nitromethyl)sulphonyl)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 ((Nitromethyl)sulphonyl)benzene?
The CAS number of ((Nitromethyl)sulphonyl)benzene is 21272-85-5.
What is the molecular formula of ((Nitromethyl)sulphonyl)benzene?
The molecular formula of ((Nitromethyl)sulphonyl)benzene is C7H7NO4S.
What is the molecular weight of ((Nitromethyl)sulphonyl)benzene?
The molecular weight of ((Nitromethyl)sulphonyl)benzene is 201.01 g/mol.
Where can I buy ((Nitromethyl)sulphonyl)benzene?
You can request a quote for ((Nitromethyl)sulphonyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((Nitromethyl)sulphonyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for ((Nitromethyl)sulphonyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.