ethyl 1-(benzenesulfonyl)indole-3-carboxylate
ethyl 1-(benzenesulfonyl)indole-3-carboxylate structure
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Common Name | ethyl 1-(benzenesulfonyl)indole-3-carboxylate | ||
|---|---|---|---|---|
| CAS Number | 80360-15-2 | Molecular Weight | 329.37000 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C17H15NO4S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | ethyl 1-(benzenesulfonyl)indole-3-carboxylate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C17H15NO4S |
|---|---|
| Molecular Weight | 329.37000 |
| Exact Mass | 329.07200 |
| PSA | 73.75000 |
| LogP | 4.13580 |
| InChIKey | OXYQSCWGVLKSEB-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~78%
ethyl 1-(benzen... CAS#:80360-15-2 |
| Literature: Silvestri, Romano; De Martino, Gabriella; La Regina, Giuseppe; Artico, Marino; Massa, Silvio; Vargiu, Laura; Mura, Massimo; Loi, Anna Giulia; Marceddu, Tiziana; La Colla, Paolo Journal of Medicinal Chemistry, 2003 , vol. 46, # 12 p. 2482 - 2493 |
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~%
ethyl 1-(benzen... CAS#:80360-15-2 |
| Literature: Saulnier, Mark G.; Gribble, Gordon W. Journal of Organic Chemistry, 1982 , vol. 47, # 5 p. 757 - 761 |
|
~%
ethyl 1-(benzen... CAS#:80360-15-2 |
| Literature: Saulnier, Mark G.; Gribble, Gordon W. Journal of Organic Chemistry, 1982 , vol. 47, # 5 p. 757 - 761 |
|
~%
ethyl 1-(benzen... CAS#:80360-15-2 |
| Literature: Saulnier, Mark G.; Gribble, Gordon W. Journal of Organic Chemistry, 1982 , vol. 47, # 5 p. 757 - 761 |
|
~%
ethyl 1-(benzen... CAS#:80360-15-2 |
| Literature: Saulnier, Mark G.; Gribble, Gordon W. Journal of Organic Chemistry, 1982 , vol. 47, # 5 p. 757 - 761 |
![1,1-difluoro-10-methyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda-2,8-dioxabicyclo[3.3.1]octane structure](https://image.chemsrc.com/caspic/097/80360-13-0.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Antiviral activity against HIV1
Source: ChEMBL
Target: Human immunodeficiency virus 1
External Id: CHEMBL863014
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Name: Cytotoxicity, reducing the vaiability of mock-infected cells
Source: ChEMBL
Target: MT4
External Id: CHEMBL715180
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Name: Anti-HIV activity protecting MT-4 cells from HIV-1 induced cytopathogenicity
Source: ChEMBL
Target: Human immunodeficiency virus 1
External Id: CHEMBL715738
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1H-Indole-3-carboxylic acid,1-(phenylsulfonyl)-,ethyl ester |
| ethyl (N-phenylsulfonyl)indole-3-carboxylate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of ethyl 1-(benzenesulfonyl)indole-3-carboxylate? |
| A: Related upstream materials(CAS) of ethyl 1-(benzenesulfonyl)indole-3-carboxylate: 64-17-5;99532-51-1;120-72-9;26340-47-6;80360-14-1;541-41-3;80360-13-0. |
| Q: What is the polar surface area (PSA) of ethyl 1-(benzenesulfonyl)indole-3-carboxylate? |
| A: Polar surface area (PSA) of ethyl 1-(benzenesulfonyl)indole-3-carboxylate is 73.75000. |
| Q: What is the LogP of ethyl 1-(benzenesulfonyl)indole-3-carboxylate? |
| A: LogP of ethyl 1-(benzenesulfonyl)indole-3-carboxylate is 4.13580. |
| Q: What is the SMILES notation of ethyl 1-(benzenesulfonyl)indole-3-carboxylate? |
| A: SMILES notation of ethyl 1-(benzenesulfonyl)indole-3-carboxylate is CCOC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12. |
| Q: What is the Chinese name of 80360-15-2? |
| A: Chinese name of 80360-15-2 is 80360-15-2. |
| Q: What is the molecular formula of ethyl 1-(benzenesulfonyl)indole-3-carboxylate? |
| A: Molecular formula of ethyl 1-(benzenesulfonyl)indole-3-carboxylate is C17H15NO4S. |
| Q: What is the InChIKey of ethyl 1-(benzenesulfonyl)indole-3-carboxylate? |
| A: InChIKey of ethyl 1-(benzenesulfonyl)indole-3-carboxylate is OXYQSCWGVLKSEB-UHFFFAOYSA-N. |
| Q: What is the CAS number of ethyl 1-(benzenesulfonyl)indole-3-carboxylate? |
| A: CAS number of ethyl 1-(benzenesulfonyl)indole-3-carboxylate is 80360-15-2. |
| Q: What is the molecular weight of ethyl 1-(benzenesulfonyl)indole-3-carboxylate? |
| A: Molecular weight of ethyl 1-(benzenesulfonyl)indole-3-carboxylate is 329.37000. |
| Q: What is the English name of ethyl 1-(benzenesulfonyl)indole-3-carboxylate? |
| A: The English name of ethyl 1-(benzenesulfonyl)indole-3-carboxylate is ethyl 1-(benzenesulfonyl)indole-3-carboxylate. |