Cas no 824937-52-2 (Benzoic acid, 5-acetyl-2-[(methylsulfonyl)amino]-, methyl ester)
![Benzoic acid, 5-acetyl-2-[(methylsulfonyl)amino]-, methyl ester structure](https://ossimg.kuujia.com/scimg/825000/824937-52-2x500.png)
824937-52-2 structure
Product Name:Benzoic acid, 5-acetyl-2-[(methylsulfonyl)amino]-, methyl ester
CAS No:824937-52-2
MF:C11H13NO5S
MW:271.289622068405
CID:690412
PubChem ID:66978055
Update Time:2025-04-19
Benzoic acid, 5-acetyl-2-[(methylsulfonyl)amino]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 5-acetyl-2-[(methylsulfonyl)amino]-, methyl ester
- methyl 5-acetyl-2-(methanesulfonamido)benzoate
- 824937-52-2
- AUSXYCLPNLMLGK-UHFFFAOYSA-N
- DTXSID60736136
- Methyl 5-acetyl-2-[(methanesulfonyl)amino]benzoate
- methyl 5-acetyl-2-[(methylsulfonyl)amino]benzoate
- SCHEMBL1285263
-
- Inchi： 1S/C11H13NO5S/c1-7(13)8-4-5-10(12-18(3,15)16)9(6-8)11(14)17-2/h4-6,12H,1-3H3
- InChI Key： AUSXYCLPNLMLGK-UHFFFAOYSA-N
- SMILES： S(C)(NC1C=CC(C(C)=O)=CC=1C(=O)OC)(=O)=O
Computed Properties
- Exact Mass: 271.05144369g/mol
- Monoisotopic Mass: 271.05144369g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 425
- 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
- Topological Polar Surface Area: 97.9?2
Benzoic acid, 5-acetyl-2-[(methylsulfonyl)amino]-, methyl ester Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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