N-(2-((1H-indol-3-yl)thio)ethyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide
TL;DR: N-(2-((1H-indol-3-yl)thio)ethyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide (CAS 687574-33-0) is a chemical compound with molecular formula C21H23N3O3S2 and molecular weight 429.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1H-indol-3-ylsulfanyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
Also Known As: ChemDiv3_007815, IDI1_025725, AB00668893-01, F0582-0093, N-[2-(1H-INDOL-3-YLSULFANYL)ETHYL]-4-(PYRROLIDINE-1-SULFONYL)BENZAMIDE
| Molecular Formula | C21H23N3O3S2 |
|---|---|
| Molecular Weight | 429.12 g/mol |
| LogP | 3.4745 |
| Topological Polar Surface Area | 82.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.11807 |
| Heavy Atoms | 29 |
| Complexity | 1101.6616 |
Chemical Identifiers
| CAS Number | 687574-33-0 |
|---|---|
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCSC3=CNC4=CC=CC=C43 |
Product Overview
N-(2-((1H-indol-3-yl)thio)ethyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide (CAS 687574-33-0), with molecular formula C21H23N3O3S2 and molecular weight 429.12 g/mol. IUPAC: N-[2-(1H-indol-3-ylsulfanyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
Chemical Property Profile of N-(2-((1H-indol-3-yl)thio)ethyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide
Property Insights of N-(2-((1H-indol-3-yl)thio)ethyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide
The XLogP value of 3.4745 indicates that N-(2-((1H-indol-3-yl)thio)ethyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-((1H-indol-3-yl)thio)ethyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide. Following Lipinski's Rule of Five, N-(2-((1H-indol-3-yl)thio)ethyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide has 2 hydrogen bond donor(s) and 4 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 N-(2-((1H-indol-3-yl)thio)ethyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide?
The CAS number of N-(2-((1H-indol-3-yl)thio)ethyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide is 687574-33-0.
What is the molecular formula of N-(2-((1H-indol-3-yl)thio)ethyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide?
The molecular formula of N-(2-((1H-indol-3-yl)thio)ethyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide is C21H23N3O3S2.
What is the molecular weight of N-(2-((1H-indol-3-yl)thio)ethyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide?
The molecular weight of N-(2-((1H-indol-3-yl)thio)ethyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide is 429.12 g/mol.
Where can I buy N-(2-((1H-indol-3-yl)thio)ethyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide?
You can request a quote for N-(2-((1H-indol-3-yl)thio)ethyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-((1H-indol-3-yl)thio)ethyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-((1H-indol-3-yl)thio)ethyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.