Cas no 131290-90-9 (2-Propenamide, N-[(4-methylphenyl)sulfonyl]-)
![2-Propenamide, N-[(4-methylphenyl)sulfonyl]- structure](https://ossimg.kuujia.com/scimg/131500/131290-90-9x500.png)
131290-90-9 structure
Product Name:2-Propenamide, N-[(4-methylphenyl)sulfonyl]-
CAS No:131290-90-9
MF:C10H11NO3S
MW:225.264241456985
CID:1227773
PubChem ID:11746302
Update Time:2025-04-20
2-Propenamide, N-[(4-methylphenyl)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenamide, N-[(4-methylphenyl)sulfonyl]-
- N-(4-methylphenyl)sulfonylprop-2-enamide
- 131290-90-9
- MXDDRENDTSVWLG-UHFFFAOYSA-N
- DTXSID70471748
- 4-Methyl-N-(1-oxo-2-propenyl)-benzenesulfonamide
- SCHEMBL202475
-
- Inchi： 1S/C10H11NO3S/c1-3-10(12)11-15(13,14)9-6-4-8(2)5-7-9/h3-7H,1H2,2H3,(H,11,12)
- InChI Key： MXDDRENDTSVWLG-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(NC(C=C)=O)(=O)=O
Computed Properties
- Exact Mass: 225.04603
- Monoisotopic Mass: 225.04596439g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 334
- 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: 1.7
- Topological Polar Surface Area: 71.6?2
Experimental Properties
- PSA: 63.24
2-Propenamide, N-[(4-methylphenyl)sulfonyl]- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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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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