4-(3-(4-Nitrobenzyl)ureido)benzene-1-sulfonyl fluoride
TL;DR: 4-(3-(4-Nitrobenzyl)ureido)benzene-1-sulfonyl fluoride (CAS 21315-99-1) is a chemical compound with molecular formula C14H12FN3O5S and molecular weight 353.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-nitrophenyl)methylcarbamoylamino]benzenesulfonyl fluoride
Also Known As: starbld0019143, N-(Methylthiocarbamoyl)daunomycin, 4-(3-(4-Nitrobenzyl)ureido)benzene-1-sulfonyl fluoride, 4-{[(4-nitrobenzyl)carbamoyl]amino}benzenesulfonyl fluoride, 4-(3-(4-nitrobenzyl)ureido)benzenesulfonyl fluoride
| Molecular Formula | C14H12FN3O5S |
|---|---|
| Molecular Weight | 353.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.04816 |
| Heavy Atoms | 24 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 21315-99-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC(=O)NC2=CC=C(C=C2)S(=O)(=O)F)[N+](=O)[O-] |
| InChIKey | NHSKKWTWNGLMSI-UHFFFAOYSA-N |
Product Overview
4-(3-(4-Nitrobenzyl)ureido)benzene-1-sulfonyl fluoride (CAS 21315-99-1), with molecular formula C14H12FN3O5S and molecular weight 353.05 g/mol. IUPAC: 4-[(4-nitrophenyl)methylcarbamoylamino]benzenesulfonyl fluoride.
Chemical Property Profile of 4-(3-(4-Nitrobenzyl)ureido)benzene-1-sulfonyl fluoride
Property Insights of 4-(3-(4-Nitrobenzyl)ureido)benzene-1-sulfonyl fluoride
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 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 4-(3-(4-Nitrobenzyl)ureido)benzene-1-sulfonyl fluoride. Following Lipinski's Rule of Five, 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 4-(3-(4-Nitrobenzyl)ureido)benzene-1-sulfonyl fluoride?
The CAS number of 4-(3-(4-Nitrobenzyl)ureido)benzene-1-sulfonyl fluoride is 21315-99-1.
What is the molecular formula of 4-(3-(4-Nitrobenzyl)ureido)benzene-1-sulfonyl fluoride?
The molecular formula of 4-(3-(4-Nitrobenzyl)ureido)benzene-1-sulfonyl fluoride is C14H12FN3O5S.
What is the molecular weight of 4-(3-(4-Nitrobenzyl)ureido)benzene-1-sulfonyl fluoride?
The molecular weight of 4-(3-(4-Nitrobenzyl)ureido)benzene-1-sulfonyl fluoride is 353.05 g/mol.
Where can I buy 4-(3-(4-Nitrobenzyl)ureido)benzene-1-sulfonyl fluoride?
You can request a quote for 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 4-(3-(4-Nitrobenzyl)ureido)benzene-1-sulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-(4-Nitrobenzyl)ureido)benzene-1-sulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.