Cas no 199590-68-6 (Benzenesulfonamide, 2-ethyl-4-methyl- (9CI))
199590-68-6 structure
Product Name:Benzenesulfonamide, 2-ethyl-4-methyl- (9CI)
CAS No:199590-68-6
MF:C9H13NO2S
MW:199.27002120018
CID:1022936
PubChem ID:22467264
Update Time:2025-04-20
Benzenesulfonamide, 2-ethyl-4-methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide, 2-ethyl-4-methyl- (9CI)
- 2-ethyl-4-methylbenzenesulfonamide
- DB-285477
- 199590-68-6
- SCHEMBL1559677
- DTXSID30625841
- BENZENESULFONAMIDE, 2-ETHYL-4-METHYL-
- 2-Ethyl-4-methylbenzene-1-sulfonamide
-
- Inchi: 1S/C9H13NO2S/c1-3-8-6-7(2)4-5-9(8)13(10,11)12/h4-6H,3H2,1-2H3,(H2,10,11,12)
- InChI Key: IOJBGZHUBWDBNR-UHFFFAOYSA-N
- SMILES: S(C1C=CC(C)=CC=1CC)(N)(=O)=O
Computed Properties
- Exact Mass: 199.06679
- Monoisotopic Mass: 199.06669983g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 255
- 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: 1.6
- Topological Polar Surface Area: 68.5?2
Experimental Properties
- PSA: 60.16
Benzenesulfonamide, 2-ethyl-4-methyl- (9CI) Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
199590-68-6 (Benzenesulfonamide, 2-ethyl-4-methyl- (9CI)) Related Products
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