4-(3-Methyl-3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride
TL;DR: 4-(3-Methyl-3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride (CAS 21322-88-3) is a chemical compound with molecular formula C15H14FN3O5S and molecular weight 367.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[methyl-[(4-nitrophenyl)methyl]carbamoyl]amino]benzenesulfonyl fluoride
Also Known As: starbld0019464, 4-(3-Methyl-3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride, 4-[[methyl-[(4-nitrophenyl)methyl]carbamoyl]amino]benzenesul, 4-[[methyl-[(4-nitrophenyl)methyl]carbamoyl]amino]benzenesulfonyl fluoride, N-(4-Fluorsulfonyl-phenyl)-N'-(4-nitro-benzyl)-N'-methyl-harnstoff
| Molecular Formula | C15H14FN3O5S |
|---|---|
| Molecular Weight | 367.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.0638 |
| Heavy Atoms | 25 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 21322-88-3 |
|---|---|
| SMILES | CN(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)F |
| InChIKey | OSSPYNMXRMVTFE-UHFFFAOYSA-N |
Product Overview
4-(3-Methyl-3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride (CAS 21322-88-3), with molecular formula C15H14FN3O5S and molecular weight 367.06 g/mol. IUPAC: 4-[[methyl-[(4-nitrophenyl)methyl]carbamoyl]amino]benzenesulfonyl fluoride.
Chemical Property Profile of 4-(3-Methyl-3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride
Property Insights of 4-(3-Methyl-3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Methyl-3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Methyl-3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride. Following Lipinski's Rule of Five, 4-(3-Methyl-3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride has 1 hydrogen bond donor(s) and 6 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 4-(3-Methyl-3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride?
The CAS number of 4-(3-Methyl-3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride is 21322-88-3.
What is the molecular formula of 4-(3-Methyl-3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride?
The molecular formula of 4-(3-Methyl-3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride is C15H14FN3O5S.
What is the molecular weight of 4-(3-Methyl-3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride?
The molecular weight of 4-(3-Methyl-3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride is 367.06 g/mol.
Where can I buy 4-(3-Methyl-3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride?
You can request a quote for 4-(3-Methyl-3-(4-nitrobenzyl)ureido)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 4-(3-Methyl-3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Methyl-3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.