4-(2-Nitrophenylsulfonyl)-N,2-dimethylaniline
TL;DR: 4-(2-Nitrophenylsulfonyl)-N,2-dimethylaniline (CAS 182997-71-3) is a chemical compound with molecular formula C14H14N2O4S and molecular weight 306.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,2-dimethyl-4-(2-nitrophenyl)sulfonylaniline
Also Known As: Diphenyl sulfone deriv., 4-(2-Nitrophenylsulfonyl)-N,2-dimethylaniline, N,2-dimethyl-4-(2-nitrophenyl)sulfonylaniline, N,2-dimethyl-4-(2-nitrophenyl)sulfonyl-aniline, N,2-Dimethyl-4-(2-nitrobenzene-1-sulfonyl)aniline
| Molecular Formula | C14H14N2O4S |
|---|---|
| Molecular Weight | 306.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.0674 |
| Heavy Atoms | 21 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 182997-71-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])NC |
| InChIKey | ISIOGIWLGMJLRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Nitrophenylsulfonyl)-N,2-dimethylaniline (CAS 182997-71-3), with molecular formula C14H14N2O4S and molecular weight 306.07 g/mol. IUPAC: N,2-dimethyl-4-(2-nitrophenyl)sulfonylaniline.
Chemical Property Profile of 4-(2-Nitrophenylsulfonyl)-N,2-dimethylaniline
Property Insights of 4-(2-Nitrophenylsulfonyl)-N,2-dimethylaniline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Nitrophenylsulfonyl)-N,2-dimethylaniline. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Nitrophenylsulfonyl)-N,2-dimethylaniline. Following Lipinski's Rule of Five, 4-(2-Nitrophenylsulfonyl)-N,2-dimethylaniline 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-(2-Nitrophenylsulfonyl)-N,2-dimethylaniline?
The CAS number of 4-(2-Nitrophenylsulfonyl)-N,2-dimethylaniline is 182997-71-3.
What is the molecular formula of 4-(2-Nitrophenylsulfonyl)-N,2-dimethylaniline?
The molecular formula of 4-(2-Nitrophenylsulfonyl)-N,2-dimethylaniline is C14H14N2O4S.
What is the molecular weight of 4-(2-Nitrophenylsulfonyl)-N,2-dimethylaniline?
The molecular weight of 4-(2-Nitrophenylsulfonyl)-N,2-dimethylaniline is 306.07 g/mol.
Where can I buy 4-(2-Nitrophenylsulfonyl)-N,2-dimethylaniline?
You can request a quote for 4-(2-Nitrophenylsulfonyl)-N,2-dimethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Nitrophenylsulfonyl)-N,2-dimethylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Nitrophenylsulfonyl)-N,2-dimethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.