2-Methyl-4-(3-(4-nitrophenyl)acrylamido)benzene-1-sulfonyl fluoride
TL;DR: 2-Methyl-4-(3-(4-nitrophenyl)acrylamido)benzene-1-sulfonyl fluoride (CAS 21416-91-1) is a chemical compound with molecular formula C16H13FN2O5S and molecular weight 364.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride
Also Known As: starbld0019431, Benzenamine,2-methyl-N-(4-nitrophenyl), 2-Methyl-4-(3-(4-nitrophenyl)acrylamido)benzene-1-sulfonyl fluoride, 2-methyl-4-{[3-(4-nitrophenyl)acryloyl]amino}benzenesulfonyl fluoride, 2-methyl-4-[3-(4-nitrophenyl)prop-2-enoylamino]benzenesulfonyl fluoride
| Molecular Formula | C16H13FN2O5S |
|---|---|
| Molecular Weight | 364.05 g/mol |
| LogP | 3.21332 |
| Topological Polar Surface Area | 106.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.05292 |
| Heavy Atoms | 25 |
| Complexity | 952.9904 |
Chemical Identifiers
| CAS Number | 21416-91-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)F |
Product Overview
2-Methyl-4-(3-(4-nitrophenyl)acrylamido)benzene-1-sulfonyl fluoride (CAS 21416-91-1), with molecular formula C16H13FN2O5S and molecular weight 364.05 g/mol. IUPAC: 2-methyl-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride.
Chemical Property Profile of 2-Methyl-4-(3-(4-nitrophenyl)acrylamido)benzene-1-sulfonyl fluoride
Property Insights of 2-Methyl-4-(3-(4-nitrophenyl)acrylamido)benzene-1-sulfonyl fluoride
The XLogP value of 3.21332 indicates that 2-Methyl-4-(3-(4-nitrophenyl)acrylamido)benzene-1-sulfonyl fluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-4-(3-(4-nitrophenyl)acrylamido)benzene-1-sulfonyl fluoride. Following Lipinski's Rule of Five, 2-Methyl-4-(3-(4-nitrophenyl)acrylamido)benzene-1-sulfonyl fluoride 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 2-Methyl-4-(3-(4-nitrophenyl)acrylamido)benzene-1-sulfonyl fluoride?
The CAS number of 2-Methyl-4-(3-(4-nitrophenyl)acrylamido)benzene-1-sulfonyl fluoride is 21416-91-1.
What is the molecular formula of 2-Methyl-4-(3-(4-nitrophenyl)acrylamido)benzene-1-sulfonyl fluoride?
The molecular formula of 2-Methyl-4-(3-(4-nitrophenyl)acrylamido)benzene-1-sulfonyl fluoride is C16H13FN2O5S.
What is the molecular weight of 2-Methyl-4-(3-(4-nitrophenyl)acrylamido)benzene-1-sulfonyl fluoride?
The molecular weight of 2-Methyl-4-(3-(4-nitrophenyl)acrylamido)benzene-1-sulfonyl fluoride is 364.05 g/mol.
Where can I buy 2-Methyl-4-(3-(4-nitrophenyl)acrylamido)benzene-1-sulfonyl fluoride?
You can request a quote for 2-Methyl-4-(3-(4-nitrophenyl)acrylamido)benzene-1-sulfonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4-(3-(4-nitrophenyl)acrylamido)benzene-1-sulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-(3-(4-nitrophenyl)acrylamido)benzene-1-sulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.