N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide (CAS 796981-91-4) is a chemical compound with molecular formula C19H19ClN2O5S and molecular weight 422.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide
Also Known As: VU0507430-1, AB00689035-01, F3010-0034, N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-chloro-3-(pyrrolidine-1-sulfonyl)benzamide, N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-(pyrrolidin-1-ylsulfonyl)benzamide
| Molecular Formula | C19H19ClN2O5S |
|---|---|
| Molecular Weight | 422.07 g/mol |
| LogP | 2.7832 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.0703 |
| Heavy Atoms | 28 |
| Complexity | 1018.9792 |
Chemical Identifiers
| CAS Number | 796981-91-4 |
|---|---|
| SMILES | C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)Cl |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide (CAS 796981-91-4), with molecular formula C19H19ClN2O5S and molecular weight 422.07 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide
The XLogP value of 2.7832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide 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 N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide is 796981-91-4.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide is C19H19ClN2O5S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide is 422.07 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.