N-(1,3-benzothiazol-2-yl)-4-chloro-3-(pyrrolidin-1-ylsulfonyl)benzamide
TL;DR: N-(1,3-benzothiazol-2-yl)-4-chloro-3-(pyrrolidin-1-ylsulfonyl)benzamide (CAS 801273-13-2) is a chemical compound with molecular formula C18H16ClN3O3S2 and molecular weight 421.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide
Also Known As: VU0507440-1, N-(1,3-benzothiazol-2-yl)-4-chloro-3-(pyrrolidin-1-ylsulfonyl)benzamide, F3010-0053, N-(1,3-BENZOTHIAZOL-2-YL)-4-CHLORO-3-(PYRROLIDINE-1-SULFONYL)BENZAMIDE, N-(1,3-benzothiazol-2-yl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide
| Molecular Formula | C18H16ClN3O3S2 |
|---|---|
| Molecular Weight | 421.03 g/mol |
| LogP | 3.9865 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.03217 |
| Heavy Atoms | 27 |
| Complexity | 1088.8372 |
Chemical Identifiers
| CAS Number | 801273-13-2 |
|---|---|
| SMILES | C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC4=CC=CC=C4S3)Cl |
Product Overview
N-(1,3-benzothiazol-2-yl)-4-chloro-3-(pyrrolidin-1-ylsulfonyl)benzamide (CAS 801273-13-2), with molecular formula C18H16ClN3O3S2 and molecular weight 421.03 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide.
Chemical Property Profile of N-(1,3-benzothiazol-2-yl)-4-chloro-3-(pyrrolidin-1-ylsulfonyl)benzamide
Property Insights of N-(1,3-benzothiazol-2-yl)-4-chloro-3-(pyrrolidin-1-ylsulfonyl)benzamide
The XLogP value of 3.9865 indicates that N-(1,3-benzothiazol-2-yl)-4-chloro-3-(pyrrolidin-1-ylsulfonyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzothiazol-2-yl)-4-chloro-3-(pyrrolidin-1-ylsulfonyl)benzamide. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-yl)-4-chloro-3-(pyrrolidin-1-ylsulfonyl)benzamide 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-benzothiazol-2-yl)-4-chloro-3-(pyrrolidin-1-ylsulfonyl)benzamide?
The CAS number of N-(1,3-benzothiazol-2-yl)-4-chloro-3-(pyrrolidin-1-ylsulfonyl)benzamide is 801273-13-2.
What is the molecular formula of N-(1,3-benzothiazol-2-yl)-4-chloro-3-(pyrrolidin-1-ylsulfonyl)benzamide?
The molecular formula of N-(1,3-benzothiazol-2-yl)-4-chloro-3-(pyrrolidin-1-ylsulfonyl)benzamide is C18H16ClN3O3S2.
What is the molecular weight of N-(1,3-benzothiazol-2-yl)-4-chloro-3-(pyrrolidin-1-ylsulfonyl)benzamide?
The molecular weight of N-(1,3-benzothiazol-2-yl)-4-chloro-3-(pyrrolidin-1-ylsulfonyl)benzamide is 421.03 g/mol.
Where can I buy N-(1,3-benzothiazol-2-yl)-4-chloro-3-(pyrrolidin-1-ylsulfonyl)benzamide?
You can request a quote for N-(1,3-benzothiazol-2-yl)-4-chloro-3-(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-(1,3-benzothiazol-2-yl)-4-chloro-3-(pyrrolidin-1-ylsulfonyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzothiazol-2-yl)-4-chloro-3-(pyrrolidin-1-ylsulfonyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.