Cas no 1036712-62-5 (Benzenesulfonamide, N-[(3-bromo-4-fluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methyl-)
![Benzenesulfonamide, N-[(3-bromo-4-fluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methyl- structure](https://ossimg.kuujia.com/scimg/1037000/1036712-62-5x500.png)
1036712-62-5 structure
Product Name:Benzenesulfonamide, N-[(3-bromo-4-fluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methyl-
CAS No:1036712-62-5
MF:C18H21BrFNO4S
MW:446.331046819687
CID:5689288
PubChem ID:59226267
Update Time:2023-10-12
Benzenesulfonamide, N-[(3-bromo-4-fluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methyl- Chemical and Physical Properties
Names and Identifiers
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- 1036712-62-5
- Benzenesulfonamide,N-[(3-bromo-4-fluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methyl-
- SCHEMBL1571343
- N-(4-Fluoro-3-bromo-benzyl)-N-(2,2-dimethoxy-ethyl)-4-methyl-benzene-sulfonamide
- C18H21BrFNO4S
- YMWAWNGTJDKAQE-UHFFFAOYSA-N
- N-(3-Bromo-4-fluorobenzyl)-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide
- Benzenesulfonamide, N-[(3-bromo-4-fluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methyl-
-
- Inchi： 1S/C18H21BrFNO4S/c1-13-4-7-15(8-5-13)26(22,23)21(12-18(24-2)25-3)11-14-6-9-17(20)16(19)10-14/h4-10,18H,11-12H2,1-3H3
- InChI Key： YMWAWNGTJDKAQE-UHFFFAOYSA-N
- SMILES： BrC1=C(C=CC(=C1)CN(CC(OC)OC)S(C1C=CC(C)=CC=1)(=O)=O)F
Computed Properties
- Exact Mass: 445.03587g/mol
- Monoisotopic Mass: 445.03587g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- Rotatable Bond Count: 8
- Complexity: 518
- 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: 3.6
- Topological Polar Surface Area: 64.2?2
Benzenesulfonamide, N-[(3-bromo-4-fluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methyl- Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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