Cas no 89313-12-2 (Benzenesulfonamide, N-methyl-4-(2-oxopropyl)-)
89313-12-2 structure
Product Name:Benzenesulfonamide, N-methyl-4-(2-oxopropyl)-
CAS No:89313-12-2
MF:C10H13NO3S
MW:227.280121564865
CID:604591
PubChem ID:58436479
Update Time:2025-04-19
Benzenesulfonamide, N-methyl-4-(2-oxopropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide, N-methyl-4-(2-oxopropyl)-
- N-methyl-4-(2-oxopropyl)benzenesulfonamide
- SCHEMBL2396644
- 89313-12-2
- AKOS012501340
- DTXSID50729259
- N-Methyl-4-(2-oxopropyl)benzene-1-sulfonamide
- N-Methyl-4-(2-oxo-propyl)-benzenesulfonamide
- MFHYFYKKKDIRSQ-UHFFFAOYSA-N
-
- Inchi： 1S/C10H13NO3S/c1-8(12)7-9-3-5-10(6-4-9)15(13,14)11-2/h3-6,11H,7H2,1-2H3
- InChI Key： MFHYFYKKKDIRSQ-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)CC(C)=O)(NC)(=O)=O
Computed Properties
- Exact Mass: 227.06161445g/mol
- Monoisotopic Mass: 227.06161445g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 310
- 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: 0.5
- Topological Polar Surface Area: 71.6?2
Benzenesulfonamide, N-methyl-4-(2-oxopropyl)- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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