2-Chloro-5-(piperidine-1-sulfonyl)benzoic acid
TL;DR: 2-Chloro-5-(piperidine-1-sulfonyl)benzoic acid (CAS 109029-95-0) is a chemical compound with molecular formula C12H14ClNO4S and molecular weight 303.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-piperidin-1-ylsulfonylbenzoic acid
Also Known As: 2-Chloro-5-(piperidine-1-sulfonyl)-benzoic acid, 2-Chloro-5-(piperidin-1-ylsulfonyl)benzoic acid, 2-Chloro-5-(piperidine-1-sulfonyl)benzoic acid, 2-chloro-5-piperidin-1-ylsulfonylbenzoic acid, BAS 00116707
| Molecular Formula | C12H14ClNO4S |
|---|---|
| Molecular Weight | 303.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.0332 |
| Heavy Atoms | 19 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 109029-95-0 |
|---|---|
| SMILES | C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O |
| InChIKey | RYCLZKQOCUAPMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-5-(piperidine-1-sulfonyl)benzoic acid (CAS 109029-95-0), with molecular formula C12H14ClNO4S and molecular weight 303.03 g/mol. IUPAC: 2-chloro-5-piperidin-1-ylsulfonylbenzoic acid.
Chemical Property Profile of 2-Chloro-5-(piperidine-1-sulfonyl)benzoic acid
Property Insights of 2-Chloro-5-(piperidine-1-sulfonyl)benzoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-5-(piperidine-1-sulfonyl)benzoic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-5-(piperidine-1-sulfonyl)benzoic acid. Following Lipinski's Rule of Five, 2-Chloro-5-(piperidine-1-sulfonyl)benzoic acid has 1 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-5-(piperidine-1-sulfonyl)benzoic acid?
The CAS number of 2-Chloro-5-(piperidine-1-sulfonyl)benzoic acid is 109029-95-0.
What is the molecular formula of 2-Chloro-5-(piperidine-1-sulfonyl)benzoic acid?
The molecular formula of 2-Chloro-5-(piperidine-1-sulfonyl)benzoic acid is C12H14ClNO4S.
What is the molecular weight of 2-Chloro-5-(piperidine-1-sulfonyl)benzoic acid?
The molecular weight of 2-Chloro-5-(piperidine-1-sulfonyl)benzoic acid is 303.03 g/mol.
Where can I buy 2-Chloro-5-(piperidine-1-sulfonyl)benzoic acid?
You can request a quote for 2-Chloro-5-(piperidine-1-sulfonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-5-(piperidine-1-sulfonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-(piperidine-1-sulfonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.