1H-Pyrrole-2-carboxylic acid, 1-((4-chloro-2-nitrophenyl)sulfonyl)-, ethyl ester
TL;DR: 1H-Pyrrole-2-carboxylic acid, 1-((4-chloro-2-nitrophenyl)sulfonyl)-, ethyl ester (CAS 163460-54-6) is a chemical compound with molecular formula C13H11ClN2O6S and molecular weight 358.00262 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-(4-chloro-2-nitrophenyl)sulfonylpyrrole-2-carboxylate
Also Known As: Pyrrolyl Phenyl Sulfone deriv., 1H-Pyrrole-2-carboxylic acid, 1-((4-chloro-2-nitrophenyl)sulfonyl)-, ethyl ester, Ethyl 1-((4-Chloro-2-nitrophenyl)sulfonyl)-1H-pyrrole-2-carboxylate, ethyl 1-(4-chloro-2-nitro-phenyl)sulfonylpyrrole-2-carboxylate, ethyl 1-(4-chloro-2-nitrophenyl)sulfonylpyrrole-2-carboxylate
Technical Specifications
| Molecular Formula | C13H11ClN2O6S |
| Molecular Weight | 358.00262 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.00262 Da |
| Heavy Atoms | 23 |
| Complexity | 558.0 |
| SMILES | CCOC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | ZSXUWILVJKMINR-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Pyrrole-2-carboxylic acid, 1-((4-chloro-2-nitrophenyl)sulfonyl)-, ethyl ester
Property Insights of 1H-Pyrrole-2-carboxylic acid, 1-((4-chloro-2-nitrophenyl)sulfonyl)-, ethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-2-carboxylic acid, 1-((4-chloro-2-nitrophenyl)sulfonyl)-, ethyl ester. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-2-carboxylic acid, 1-((4-chloro-2-nitrophenyl)sulfonyl)-, ethyl ester. Following Lipinski's Rule of Five, 1H-Pyrrole-2-carboxylic acid, 1-((4-chloro-2-nitrophenyl)sulfonyl)-, ethyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-Pyrrole-2-carboxylic acid, 1-((4-chloro-2-nitrophenyl)sulfonyl)-, ethyl ester?
The CAS number of 1H-Pyrrole-2-carboxylic acid, 1-((4-chloro-2-nitrophenyl)sulfonyl)-, ethyl ester is 163460-54-6.
What is the molecular formula of 1H-Pyrrole-2-carboxylic acid, 1-((4-chloro-2-nitrophenyl)sulfonyl)-, ethyl ester?
The molecular formula of 1H-Pyrrole-2-carboxylic acid, 1-((4-chloro-2-nitrophenyl)sulfonyl)-, ethyl ester is C13H11ClN2O6S.
What is the molecular weight of 1H-Pyrrole-2-carboxylic acid, 1-((4-chloro-2-nitrophenyl)sulfonyl)-, ethyl ester?
The molecular weight of 1H-Pyrrole-2-carboxylic acid, 1-((4-chloro-2-nitrophenyl)sulfonyl)-, ethyl ester is 358.00262 g/mol.
Where can I buy 1H-Pyrrole-2-carboxylic acid, 1-((4-chloro-2-nitrophenyl)sulfonyl)-, ethyl ester?
You can request a quote for 1H-Pyrrole-2-carboxylic acid, 1-((4-chloro-2-nitrophenyl)sulfonyl)-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Pyrrole-2-carboxylic acid, 1-((4-chloro-2-nitrophenyl)sulfonyl)-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for 1H-Pyrrole-2-carboxylic acid, 1-((4-chloro-2-nitrophenyl)sulfonyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.