![N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-methylaniline structure](/static/products/3214/321434-04-2.webp)
N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-methylaniline
TL;DR: N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-methylaniline (CAS 321434-04-2) is a chemical compound with molecular formula C15H14N2O4S and molecular weight 318.07 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-methylaniline
Also Known As: N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-methylaniline, 3-methyl-N-[2-nitro-2-(phenylsulfonyl)vinyl]aniline, 3-Methyl-N-2-nitro-2-(phenylsulfonyl)vinylaniline, N-[(E)-2-(benzenesulfonyl)-2-nitro-vinyl]-3-methyl-aniline
| Molecular Formula | C15H14N2O4S |
|---|---|
| Molecular Weight | 318.07 g/mol |
| LogP | 2.95642 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.0674 |
| Heavy Atoms | 22 |
| Complexity | 814.4459 |
Chemical Identifiers
| CAS Number | 321434-04-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N/C=C(\[N+](=O)[O-])/S(=O)(=O)C2=CC=CC=C2 |
Product Overview
N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-methylaniline (CAS 321434-04-2), with molecular formula C15H14N2O4S and molecular weight 318.07 g/mol. IUPAC: N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-methylaniline.
Chemical Property Profile of N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-methylaniline
Property Insights of N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-methylaniline
The XLogP value of 2.95642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-methylaniline. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-methylaniline. Following Lipinski's Rule of Five, N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-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-methylaniline?
The CAS number of N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-methylaniline is 321434-04-2.
What is the molecular formula of N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-methylaniline?
The molecular formula of N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-methylaniline is C15H14N2O4S.
What is the molecular weight of N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-methylaniline?
The molecular weight of N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-methylaniline is 318.07 g/mol.
Where can I buy N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-methylaniline?
You can request a quote for N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-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-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.