![2-Chloro-4-[3-(3-nitrophenyl)-ureido]benzenesulfonyl chloride structure](/static/products/6806/680617-71-4.webp)
2-Chloro-4-[3-(3-nitrophenyl)-ureido]benzenesulfonyl chloride
TL;DR: 2-Chloro-4-[3-(3-nitrophenyl)-ureido]benzenesulfonyl chloride (CAS 680617-71-4) is a chemical compound with molecular formula C13H9Cl2N3O5S and molecular weight 388.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-[(3-nitrophenyl)carbamoylamino]benzenesulfonyl chloride
Also Known As: 2-chloro-4-[(3-nitrophenyl)carbamoylamino]benzenesulfonyl Chloride, 2-chloro-4-[3-(3-nitrophenyl)-ureido]benzenesulfonyl chloride, 2-Chloro-4-(3-(3-nitrophenyl)ureido)benzene-1-sulfonyl chloride, 2-Chloro-4-(3-(3-nitrophenyl)ureido)benzene-1-sulfonylchloride, 2-Chloro-4-[3-(3-nitro-phenyl)-ureido]-benzene sulfonyl chloride
| Molecular Formula | C13H9Cl2N3O5S |
|---|---|
| Molecular Weight | 388.96 g/mol |
| LogP | 3.8197 |
| Topological Polar Surface Area | 118.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.964 |
| Heavy Atoms | 24 |
| Complexity | 917.57324 |
Chemical Identifiers
| CAS Number | 680617-71-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NC2=CC(=C(C=C2)S(=O)(=O)Cl)Cl |
Product Overview
2-Chloro-4-[3-(3-nitrophenyl)-ureido]benzenesulfonyl chloride (CAS 680617-71-4), with molecular formula C13H9Cl2N3O5S and molecular weight 388.96 g/mol. IUPAC: 2-chloro-4-[(3-nitrophenyl)carbamoylamino]benzenesulfonyl chloride.
Chemical Property Profile of 2-Chloro-4-[3-(3-nitrophenyl)-ureido]benzenesulfonyl chloride
Property Insights of 2-Chloro-4-[3-(3-nitrophenyl)-ureido]benzenesulfonyl chloride
The XLogP value of 3.8197 indicates that 2-Chloro-4-[3-(3-nitrophenyl)-ureido]benzenesulfonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-4-[3-(3-nitrophenyl)-ureido]benzenesulfonyl chloride. Following Lipinski's Rule of Five, 2-Chloro-4-[3-(3-nitrophenyl)-ureido]benzenesulfonyl chloride has 2 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-Chloro-4-[3-(3-nitrophenyl)-ureido]benzenesulfonyl chloride?
The CAS number of 2-Chloro-4-[3-(3-nitrophenyl)-ureido]benzenesulfonyl chloride is 680617-71-4.
What is the molecular formula of 2-Chloro-4-[3-(3-nitrophenyl)-ureido]benzenesulfonyl chloride?
The molecular formula of 2-Chloro-4-[3-(3-nitrophenyl)-ureido]benzenesulfonyl chloride is C13H9Cl2N3O5S.
What is the molecular weight of 2-Chloro-4-[3-(3-nitrophenyl)-ureido]benzenesulfonyl chloride?
The molecular weight of 2-Chloro-4-[3-(3-nitrophenyl)-ureido]benzenesulfonyl chloride is 388.96 g/mol.
Where can I buy 2-Chloro-4-[3-(3-nitrophenyl)-ureido]benzenesulfonyl chloride?
You can request a quote for 2-Chloro-4-[3-(3-nitrophenyl)-ureido]benzenesulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-[3-(3-nitrophenyl)-ureido]benzenesulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-[3-(3-nitrophenyl)-ureido]benzenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.