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N-[2-(benzenesulfonyl)-2-nitroethenyl]-2-chloroaniline
TL;DR: N-[2-(benzenesulfonyl)-2-nitroethenyl]-2-chloroaniline (CAS 1164476-20-3) is a chemical compound with molecular formula C14H11ClN2O4S and molecular weight 338.01282 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(benzenesulfonyl)-2-nitroethenyl]-2-chloroaniline
Also Known As: 2-chloro-N-[2-nitro-2-(phenylsulfonyl)vinyl]aniline, N-[2-(benzenesulfonyl)-2-nitroethenyl]-2-chloroaniline
Technical Specifications
| Molecular Formula | C14H11ClN2O4S |
| Molecular Weight | 338.01282 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.01282 Da |
| Heavy Atoms | 22 |
| Complexity | 518.0 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C(=CNC2=CC=CC=C2Cl)[N+](=O)[O-] |
| InChIKey | QYRGUXBFECNJSG-UHFFFAOYSA-N |
Chemical Property Profile of N-[2-(benzenesulfonyl)-2-nitroethenyl]-2-chloroaniline
Property Insights of N-[2-(benzenesulfonyl)-2-nitroethenyl]-2-chloroaniline
The XLogP value of 4.1 indicates that N-[2-(benzenesulfonyl)-2-nitroethenyl]-2-chloroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(benzenesulfonyl)-2-nitroethenyl]-2-chloroaniline. Following Lipinski's Rule of Five, N-[2-(benzenesulfonyl)-2-nitroethenyl]-2-chloroaniline 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
What is the CAS number of N-[2-(benzenesulfonyl)-2-nitroethenyl]-2-chloroaniline?
The CAS number of N-[2-(benzenesulfonyl)-2-nitroethenyl]-2-chloroaniline is 1164476-20-3.
What is the molecular formula of N-[2-(benzenesulfonyl)-2-nitroethenyl]-2-chloroaniline?
The molecular formula of N-[2-(benzenesulfonyl)-2-nitroethenyl]-2-chloroaniline is C14H11ClN2O4S.
What is the molecular weight of N-[2-(benzenesulfonyl)-2-nitroethenyl]-2-chloroaniline?
The molecular weight of N-[2-(benzenesulfonyl)-2-nitroethenyl]-2-chloroaniline is 338.01282 g/mol.
Where can I buy N-[2-(benzenesulfonyl)-2-nitroethenyl]-2-chloroaniline?
You can request a quote for N-[2-(benzenesulfonyl)-2-nitroethenyl]-2-chloroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-[2-(benzenesulfonyl)-2-nitroethenyl]-2-chloroaniline?
Yes, CoreyChem provides custom synthesis services for N-[2-(benzenesulfonyl)-2-nitroethenyl]-2-chloroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.