ethyl 4-sulfamoylbenzoate
ethyl 4-sulfamoylbenzoate structure
|
Common Name | ethyl 4-sulfamoylbenzoate | ||
|---|---|---|---|---|
| CAS Number | 5446-77-5 | Molecular Weight | 229.25300 | |
| Density | 1.326g/cm3 | Boiling Point | 396.4ºC at 760 mmHg | |
| Molecular Formula | C9H11NO4S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 193.6ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | ethyl 4-sulfamoylbenzoate |
|---|---|
| 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.
| Density | 1.326g/cm3 |
|---|---|
| Boiling Point | 396.4ºC at 760 mmHg |
| Molecular Formula | C9H11NO4S |
| Molecular Weight | 229.25300 |
| Flash Point | 193.6ºC |
| Exact Mass | 229.04100 |
| PSA | 94.84000 |
| LogP | 2.29180 |
| Index of Refraction | 1.548 |
| InChIKey | DFTXGSKTFDBVQM-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1ccc(S(N)(=O)=O)cc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2935009090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~97%
ethyl 4-sulfamo... CAS#:5446-77-5 |
| Literature: Caturla, Francisco; Jimenez, Juan-Miguel; Godessart, Nuria; Amat, Merce; Cardenas, Alvaro; Soca, Lidia; Beleta, Jordi; Ryder, Hamish; Crespo, Maria I. Journal of Medicinal Chemistry, 2004 , vol. 47, # 15 p. 3874 - 3886 |
|
~%
ethyl 4-sulfamo... CAS#:5446-77-5 |
| Literature: A. H. Robins Company, Incorporated Patent: US4990523 A1, 1991 ; |
|
~%
ethyl 4-sulfamo... CAS#:5446-77-5 |
| Literature: Remsen Justus Liebigs Annalen der Chemie, 1875 , vol. 178, p. 284 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 6 | |
CAS#:35264-29-0
CAS#:6306-24-7
CAS#:63-74-1
CAS#:102153-43-5
CAS#:2224-10-4
CAS#:67472-44-0This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2935009090 |
|---|---|
| Summary | 2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
Name: Binding affinity against human carbonic anhydrase (hCA).
Source: ChEMBL
Target: Carbonic anhydrase 3
External Id: CHEMBL662691
|
|
Name: Binding constant against human Carbonic anhydrase II
Source: ChEMBL
Target: Carbonic anhydrase 2
External Id: CHEMBL828405
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-Sulfamoyl-benzoesaeure-aethylester |
| Ethyl p-sulfamylbenzoate |
| 4-sulfamoyl-benzoic acid ethyl ester |
| ethyl 4-sulfonamidobenzoate |
| p-Sulfamylbenzoesaeureaethylester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of ethyl 4-sulfamoylbenzoate? |
| A: SMILES notation of ethyl 4-sulfamoylbenzoate is CCOC(=O)c1ccc(S(N)(=O)=O)cc1. |
| Q: What is the English name of ethyl 4-sulfamoylbenzoate? |
| A: The English name of ethyl 4-sulfamoylbenzoate is ethyl 4-sulfamoylbenzoate. |
| Q: What is the InChIKey of ethyl 4-sulfamoylbenzoate? |
| A: InChIKey of ethyl 4-sulfamoylbenzoate is DFTXGSKTFDBVQM-UHFFFAOYSA-N. |
| Q: What is the boiling point of ethyl 4-sulfamoylbenzoate? |
| A: Boiling point of ethyl 4-sulfamoylbenzoate is 396.4ºC at 760 mmHg. |
| Q: What are the downstream products of ethyl 4-sulfamoylbenzoate? |
| A: Related downstream products(CAS) of ethyl 4-sulfamoylbenzoate: 35264-29-0;6306-24-7;63-74-1;102153-43-5;2224-10-4;67472-44-0. |
| Q: What is the molecular formula of ethyl 4-sulfamoylbenzoate? |
| A: Molecular formula of ethyl 4-sulfamoylbenzoate is C9H11NO4S. |
| Q: What is the CAS number of ethyl 4-sulfamoylbenzoate? |
| A: CAS number of ethyl 4-sulfamoylbenzoate is 5446-77-5. |
| Q: What English synonyms does ethyl 4-sulfamoylbenzoate have? |
| A: English synonyms of ethyl 4-sulfamoylbenzoate: 4-Sulfamoyl-benzoesaeure-aethylester, Ethyl p-sulfamylbenzoate, 4-sulfamoyl-benzoic acid ethyl ester, ethyl 4-sulfonamidobenzoate, p-Sulfamylbenzoesaeureaethylester. |
| Q: What are the upstream materials of ethyl 4-sulfamoylbenzoate? |
| A: Related upstream materials(CAS) of ethyl 4-sulfamoylbenzoate: 64-17-5;138-41-0;70-55-3. |
| Q: What is the LogP of ethyl 4-sulfamoylbenzoate? |
| A: LogP of ethyl 4-sulfamoylbenzoate is 2.29180. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |