![N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-chloro-2-methylaniline structure](/static/products/3214/321433-85-6.webp)
N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-chloro-2-methylaniline
TL;DR: N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-chloro-2-methylaniline (CAS 321433-85-6) is a chemical compound with molecular formula C15H13ClN2O4S and molecular weight 352.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-chloro-2-methylaniline
Also Known As: N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-chloro-2-methylaniline, 1K-040, 3-chloro-2-methyl-N-[2-nitro-2-(phenylsulfonyl)vinyl]aniline, 3-Chloro-2-methyl-N-2-nitro-2-(phenylsulfonyl)vinylaniline, N-[(E)-2-(benzenesulfonyl)-2-nitro-vinyl]-3-chloro-2-methyl-aniline
| Molecular Formula | C15H13ClN2O4S |
|---|---|
| Molecular Weight | 352.03 g/mol |
| LogP | 3.60982 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.02844 |
| Heavy Atoms | 23 |
| Complexity | 864.30054 |
Chemical Identifiers
| CAS Number | 321433-85-6 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)N/C=C(\[N+](=O)[O-])/S(=O)(=O)C2=CC=CC=C2 |
Product Overview
N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-chloro-2-methylaniline (CAS 321433-85-6), with molecular formula C15H13ClN2O4S and molecular weight 352.03 g/mol. IUPAC: N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-chloro-2-methylaniline.
Chemical Property Profile of N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-chloro-2-methylaniline
Property Insights of N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-chloro-2-methylaniline
The XLogP value of 3.60982 indicates that N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-chloro-2-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-chloro-2-methylaniline. Following Lipinski's Rule of Five, N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-chloro-2-methylaniline 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 N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-chloro-2-methylaniline?
The CAS number of N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-chloro-2-methylaniline is 321433-85-6.
What is the molecular formula of N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-chloro-2-methylaniline?
The molecular formula of N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-chloro-2-methylaniline is C15H13ClN2O4S.
What is the molecular weight of N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-chloro-2-methylaniline?
The molecular weight of N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-chloro-2-methylaniline is 352.03 g/mol.
Where can I buy N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-chloro-2-methylaniline?
You can request a quote for N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-chloro-2-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-chloro-2-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-chloro-2-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.