Cas no 918954-47-9 (Benzenesulfonamide, N-(2-hydroxybutyl)-4-methyl-)
918954-47-9 structure
Product Name:Benzenesulfonamide, N-(2-hydroxybutyl)-4-methyl-
CAS No:918954-47-9
MF:C11H17NO3S
MW:243.322582006454
CID:767920
PubChem ID:3814399
Update Time:2025-04-19
Benzenesulfonamide, N-(2-hydroxybutyl)-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide, N-(2-hydroxybutyl)-4-methyl-
- N-(2-hydroxybutyl)-4-methylbenzenesulfonamide
- SCHEMBL12169291
- DTXSID60396794
- 918954-47-9
- AB00006555-01
-
- Inchi： 1S/C11H17NO3S/c1-3-10(13)8-12-16(14,15)11-6-4-9(2)5-7-11/h4-7,10,12-13H,3,8H2,1-2H3
- InChI Key： GRSGFXPLGMIDCW-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(NCC(CC)O)(=O)=O
Computed Properties
- Exact Mass: 243.09291458g/mol
- Monoisotopic Mass: 243.09291458g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 289
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 74.8?2
Benzenesulfonamide, N-(2-hydroxybutyl)-4-methyl- Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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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
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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