2-Methyl-4-(3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride
TL;DR: 2-Methyl-4-(3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride (CAS 21322-82-7) 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.
2-methyl-4-[(4-nitrophenyl)methylcarbamoylamino]benzenesulfonyl fluoride
Also Known As: starbld0019430, 2-Methyl-4-(3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride, 2-methyl-4-{[(4-nitrobenzyl)carbamoyl]amino}benzenesulfonyl fluoride, 2-methyl-4-(3-(4-nitrobenzyl)ureido)benzenesulfonyl fluoride, 2-methyl-4-[(4-nitrophenyl)methylcarbamoylamino]benzenesulfonyl fluoride
| Molecular Formula | C15H14FN3O5S |
|---|---|
| Molecular Weight | 367.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.0638 |
| Heavy Atoms | 25 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 21322-82-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)F |
| InChIKey | GCFHUTPZEVWGKS-UHFFFAOYSA-N |
Product Overview
2-Methyl-4-(3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride (CAS 21322-82-7), with molecular formula C15H14FN3O5S and molecular weight 367.06 g/mol. IUPAC: 2-methyl-4-[(4-nitrophenyl)methylcarbamoylamino]benzenesulfonyl fluoride.
Chemical Property Profile of 2-Methyl-4-(3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride
Property Insights of 2-Methyl-4-(3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4-(3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-4-(3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride. Following Lipinski's Rule of Five, 2-Methyl-4-(3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride has 2 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 2-Methyl-4-(3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride?
The CAS number of 2-Methyl-4-(3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride is 21322-82-7.
What is the molecular formula of 2-Methyl-4-(3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride?
The molecular formula of 2-Methyl-4-(3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride is C15H14FN3O5S.
What is the molecular weight of 2-Methyl-4-(3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride?
The molecular weight of 2-Methyl-4-(3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride is 367.06 g/mol.
Where can I buy 2-Methyl-4-(3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride?
You can request a quote for 2-Methyl-4-(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 2-Methyl-4-(3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-(3-(4-nitrobenzyl)ureido)benzene-1-sulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.