2-Chloro-4-(pyrrolidine-1-carboxamido)benzene-1-sulfonyl chloride
TL;DR: 2-Chloro-4-(pyrrolidine-1-carboxamido)benzene-1-sulfonyl chloride (CAS 680617-79-2) is a chemical compound with molecular formula C11H12Cl2N2O3S and molecular weight 321.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-(pyrrolidine-1-carbonylamino)benzenesulfonyl chloride
Also Known As: 2-Chloro-4-(pyrrolidine-1-carboxamido)benzene-1-sulfonyl chloride, 2-Chloro-4-[(pyrrolidine-1-carbonyl)-amino]-benzenesulfonyl chloride, 2-chloro-4-(pyrrolidine-1-carbonylamino)benzenesulfonyl Chloride, 2-(chloro-4-(pyrrolidine-1-carbonyl)amino)benzenesulfonyl chloride, 2-Chloro-4-(pyrrolidine-1-carboxamido)benzene-1-sulfonylchloride
| Molecular Formula | C11H12Cl2N2O3S |
|---|---|
| Molecular Weight | 321.99 g/mol |
| LogP | 2.8952 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.99457 |
| Heavy Atoms | 19 |
| Complexity | 597.9579 |
Chemical Identifiers
| CAS Number | 680617-79-2 |
|---|---|
| SMILES | C1CCN(C1)C(=O)NC2=CC(=C(C=C2)S(=O)(=O)Cl)Cl |
Product Overview
2-Chloro-4-(pyrrolidine-1-carboxamido)benzene-1-sulfonyl chloride (CAS 680617-79-2), with molecular formula C11H12Cl2N2O3S and molecular weight 321.99 g/mol. IUPAC: 2-chloro-4-(pyrrolidine-1-carbonylamino)benzenesulfonyl chloride.
Chemical Property Profile of 2-Chloro-4-(pyrrolidine-1-carboxamido)benzene-1-sulfonyl chloride
Property Insights of 2-Chloro-4-(pyrrolidine-1-carboxamido)benzene-1-sulfonyl chloride
The XLogP value of 2.8952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4-(pyrrolidine-1-carboxamido)benzene-1-sulfonyl chloride. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-4-(pyrrolidine-1-carboxamido)benzene-1-sulfonyl chloride. Following Lipinski's Rule of Five, 2-Chloro-4-(pyrrolidine-1-carboxamido)benzene-1-sulfonyl chloride has 1 hydrogen bond donor(s) and 3 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-(pyrrolidine-1-carboxamido)benzene-1-sulfonyl chloride?
The CAS number of 2-Chloro-4-(pyrrolidine-1-carboxamido)benzene-1-sulfonyl chloride is 680617-79-2.
What is the molecular formula of 2-Chloro-4-(pyrrolidine-1-carboxamido)benzene-1-sulfonyl chloride?
The molecular formula of 2-Chloro-4-(pyrrolidine-1-carboxamido)benzene-1-sulfonyl chloride is C11H12Cl2N2O3S.
What is the molecular weight of 2-Chloro-4-(pyrrolidine-1-carboxamido)benzene-1-sulfonyl chloride?
The molecular weight of 2-Chloro-4-(pyrrolidine-1-carboxamido)benzene-1-sulfonyl chloride is 321.99 g/mol.
Where can I buy 2-Chloro-4-(pyrrolidine-1-carboxamido)benzene-1-sulfonyl chloride?
You can request a quote for 2-Chloro-4-(pyrrolidine-1-carboxamido)benzene-1-sulfonyl 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-(pyrrolidine-1-carboxamido)benzene-1-sulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-(pyrrolidine-1-carboxamido)benzene-1-sulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.