Cas no 1837-70-3 (Benzenesulfonamide,4-bromo-N-hexadecyl-)
1837-70-3 structure
Product Name:Benzenesulfonamide,4-bromo-N-hexadecyl-
CAS No:1837-70-3
MF:C22H38BrNO2S
MW:460.51162481308
CID:226540
PubChem ID:292068
Update Time:2025-04-19
Benzenesulfonamide,4-bromo-N-hexadecyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide,4-bromo-N-hexadecyl-
- 1837-70-3
- 4-bromo-n-hexadecylbenzenesulfonamide
- 4-Bromo-N-hexadecylbenzene-1-sulfonamide
- DTXSID00939745
- AKOS024429967
- NSC-157679
- NSC157679
-
- Inchi： 1S/C22H38BrNO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-24-27(25,26)22-18-16-21(23)17-19-22/h16-19,24H,2-15,20H2,1H3
- InChI Key： QTKVVQHPAOYZAM-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)S(NCCCCCCCCCCCCCCCC)(=O)=O
Computed Properties
- Exact Mass: 459.18084
- Monoisotopic Mass: 459.18066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 27
- Rotatable Bond Count: 17
- Complexity: 428
- 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: 9.3
- Topological Polar Surface Area: 54.6?2
Experimental Properties
- PSA: 46.17
Benzenesulfonamide,4-bromo-N-hexadecyl- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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