3-Chloro-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide
TL;DR: 3-Chloro-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide (CAS 162090-87-1) is a chemical compound with molecular formula C15H9ClN2O3S and molecular weight 332.00223 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide
Also Known As: 3-Chloro-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide, 3-Chloro-N-(4-nitrophenyl)-2-thianaphthenecarboxamide, (3-Chlorobenzo[b]thiophen-2-yl)-N-(4-nitrophenyl)formamide, 3-chloro-N-(4-nitrophenyl)-1-benzo[b]thiophene-2-carboxamide, 3-Chloro-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide #
Technical Specifications
| Molecular Formula | C15H9ClN2O3S |
| Molecular Weight | 332.00223 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.00223 Da |
| Heavy Atoms | 22 |
| Complexity | 437.0 |
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])Cl |
| InChIKey | FHBMGEFOEQLLPI-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloro-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide
Property Insights of 3-Chloro-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide
The XLogP value of 4.6 indicates that 3-Chloro-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, 3-Chloro-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Chloro-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide?
The CAS number of 3-Chloro-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide is 162090-87-1.
What is the molecular formula of 3-Chloro-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide?
The molecular formula of 3-Chloro-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide is C15H9ClN2O3S.
What is the molecular weight of 3-Chloro-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide?
The molecular weight of 3-Chloro-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide is 332.00223 g/mol.
Where can I buy 3-Chloro-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide?
You can request a quote for 3-Chloro-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.