Cas no 5325-05-3 (Ethyl 4-(diethylsulfamoyl)benzoate)
5325-05-3 structure
Product Name:Ethyl 4-(diethylsulfamoyl)benzoate
CAS No:5325-05-3
MF:C13H19NO4S
MW:285.359262704849
CID:938175
PubChem ID:219173
Update Time:2025-04-19
Ethyl 4-(diethylsulfamoyl)benzoate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 4-(diethylsulfamoyl)benzoate
- AKOS008940024; AR-1I8979; NSC110; AG-F-82447; AC1L5671; 4-< (Diethylamino)sulfonyl> benzoic Acid Ethyl Ester; AC1Q6V8G; ethyl 4-(diethylaminosulfonyl)benzoate; CTK4J7350;
- AKOS008940024
- P-(DIETHYLSULFOMYL)-BENZOIC ACID, ETHYL ESTER
- 5325-05-3
- NSC110
- NSC-110
- DTXSID90276959
-
- Inchi： 1S/C13H19NO4S/c1-4-14(5-2)19(16,17)12-9-7-11(8-10-12)13(15)18-6-3/h7-10H,4-6H2,1-3H3
- InChI Key： LOTRLVCPKKJBES-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C(=O)OCC)=CC=1)(N(CC)CC)(=O)=O
Computed Properties
- Exact Mass: 285.10357
- Monoisotopic Mass: 285.10347926g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 7
- Complexity: 376
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 72.1?2
Experimental Properties
- PSA: 63.68
- LogP: 2.97460
Ethyl 4-(diethylsulfamoyl)benzoate Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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