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N-[2-nitro-2-(phenylsulfonyl)vinyl]-4-(trifluoromethyl)aniline
TL;DR: N-[2-nitro-2-(phenylsulfonyl)vinyl]-4-(trifluoromethyl)aniline (CAS 338397-54-9) is a chemical compound with molecular formula C15H11F3N2O4S and molecular weight 372.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(benzenesulfonyl)-2-nitroethenyl]-4-(trifluoromethyl)aniline
Also Known As: Bionet1_001135, N-[2-nitro-2-(phenylsulfonyl)vinyl]-4-(trifluoromethyl)aniline, N-[2-(benzenesulfonyl)-2-nitroethenyl]-4-(trifluoromethyl)aniline, N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-4-(trifluoromethyl)aniline
| Molecular Formula | C15H11F3N2O4S |
|---|---|
| Molecular Weight | 372.04 g/mol |
| LogP | 3.6668 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.03915 |
| Heavy Atoms | 25 |
| Complexity | 892.6238 |
Chemical Identifiers
| CAS Number | 338397-54-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C(=CNC2=CC=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
Product Overview
N-[2-nitro-2-(phenylsulfonyl)vinyl]-4-(trifluoromethyl)aniline (CAS 338397-54-9), with molecular formula C15H11F3N2O4S and molecular weight 372.04 g/mol. IUPAC: N-[2-(benzenesulfonyl)-2-nitroethenyl]-4-(trifluoromethyl)aniline.
Chemical Property Profile of N-[2-nitro-2-(phenylsulfonyl)vinyl]-4-(trifluoromethyl)aniline
Property Insights of N-[2-nitro-2-(phenylsulfonyl)vinyl]-4-(trifluoromethyl)aniline
The XLogP value of 3.6668 indicates that N-[2-nitro-2-(phenylsulfonyl)vinyl]-4-(trifluoromethyl)aniline 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-[2-nitro-2-(phenylsulfonyl)vinyl]-4-(trifluoromethyl)aniline. Following Lipinski's Rule of Five, N-[2-nitro-2-(phenylsulfonyl)vinyl]-4-(trifluoromethyl)aniline 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-[2-nitro-2-(phenylsulfonyl)vinyl]-4-(trifluoromethyl)aniline?
The CAS number of N-[2-nitro-2-(phenylsulfonyl)vinyl]-4-(trifluoromethyl)aniline is 338397-54-9.
What is the molecular formula of N-[2-nitro-2-(phenylsulfonyl)vinyl]-4-(trifluoromethyl)aniline?
The molecular formula of N-[2-nitro-2-(phenylsulfonyl)vinyl]-4-(trifluoromethyl)aniline is C15H11F3N2O4S.
What is the molecular weight of N-[2-nitro-2-(phenylsulfonyl)vinyl]-4-(trifluoromethyl)aniline?
The molecular weight of N-[2-nitro-2-(phenylsulfonyl)vinyl]-4-(trifluoromethyl)aniline is 372.04 g/mol.
Where can I buy N-[2-nitro-2-(phenylsulfonyl)vinyl]-4-(trifluoromethyl)aniline?
You can request a quote for N-[2-nitro-2-(phenylsulfonyl)vinyl]-4-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-nitro-2-(phenylsulfonyl)vinyl]-4-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-[2-nitro-2-(phenylsulfonyl)vinyl]-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.