2-methyl-4-(pyrrolidine-1-carbonylamino)benzenesulfonyl Chloride
TL;DR: 2-methyl-4-(pyrrolidine-1-carbonylamino)benzenesulfonyl Chloride (CAS 678185-68-7) is a chemical compound with molecular formula C12H15ClN2O3S and molecular weight 302.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-(pyrrolidine-1-carbonylamino)benzenesulfonyl chloride
Also Known As: 2-methyl-4-(pyrrolidine-1-carbonylamino)benzenesulfonyl Chloride, 2-Methyl-4-[(pyrrolidine-1-carbonyl)-amino]-benzenesulfonyl chloride, 2-METHYL-4-[ -AMINO]-N-METHYLPYRROLIDINE, 2-Methyl-4-[(pyrrolidine-1-carbonyl)-amino]-N-Methylpyrrolidine, 2-methyl-4-[(pyrrolidine-1-carbonyl)-amino]benzenesulfonyl chloride
| Molecular Formula | C12H15ClN2O3S |
|---|---|
| Molecular Weight | 302.05 g/mol |
| LogP | 2.55022 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.0492 |
| Heavy Atoms | 19 |
| Complexity | 594.9921 |
Chemical Identifiers
| CAS Number | 678185-68-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)N2CCCC2)S(=O)(=O)Cl |
Product Overview
2-methyl-4-(pyrrolidine-1-carbonylamino)benzenesulfonyl Chloride (CAS 678185-68-7), with molecular formula C12H15ClN2O3S and molecular weight 302.05 g/mol. IUPAC: 2-methyl-4-(pyrrolidine-1-carbonylamino)benzenesulfonyl chloride.
Chemical Property Profile of 2-methyl-4-(pyrrolidine-1-carbonylamino)benzenesulfonyl Chloride
Property Insights of 2-methyl-4-(pyrrolidine-1-carbonylamino)benzenesulfonyl Chloride
The XLogP value of 2.55022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-4-(pyrrolidine-1-carbonylamino)benzenesulfonyl Chloride. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-4-(pyrrolidine-1-carbonylamino)benzenesulfonyl Chloride. Following Lipinski's Rule of Five, 2-methyl-4-(pyrrolidine-1-carbonylamino)benzenesulfonyl 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-methyl-4-(pyrrolidine-1-carbonylamino)benzenesulfonyl Chloride?
The CAS number of 2-methyl-4-(pyrrolidine-1-carbonylamino)benzenesulfonyl Chloride is 678185-68-7.
What is the molecular formula of 2-methyl-4-(pyrrolidine-1-carbonylamino)benzenesulfonyl Chloride?
The molecular formula of 2-methyl-4-(pyrrolidine-1-carbonylamino)benzenesulfonyl Chloride is C12H15ClN2O3S.
What is the molecular weight of 2-methyl-4-(pyrrolidine-1-carbonylamino)benzenesulfonyl Chloride?
The molecular weight of 2-methyl-4-(pyrrolidine-1-carbonylamino)benzenesulfonyl Chloride is 302.05 g/mol.
Where can I buy 2-methyl-4-(pyrrolidine-1-carbonylamino)benzenesulfonyl Chloride?
You can request a quote for 2-methyl-4-(pyrrolidine-1-carbonylamino)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-methyl-4-(pyrrolidine-1-carbonylamino)benzenesulfonyl Chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-4-(pyrrolidine-1-carbonylamino)benzenesulfonyl Chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.