Cas no 332021-39-3 (Piperidine, 1-[(4-chloro-3-nitrophenyl)sulfonyl]-4-(phenylmethyl)-)
![Piperidine, 1-[(4-chloro-3-nitrophenyl)sulfonyl]-4-(phenylmethyl)- structure](https://ossimg.kuujia.com/scimg/332500/332021-39-3x500.png)
332021-39-3 structure
Product Name:Piperidine, 1-[(4-chloro-3-nitrophenyl)sulfonyl]-4-(phenylmethyl)-
CAS No:332021-39-3
MF:C18H19ClN2O4S
MW:394.872462511063
CID:1456111
PubChem ID:3119300
Update Time:2025-04-20
Piperidine, 1-[(4-chloro-3-nitrophenyl)sulfonyl]-4-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Piperidine, 1-[(4-chloro-3-nitrophenyl)sulfonyl]-4-(phenylmethyl)-
- STK354175
- 4-benzyl-1-(4-chloro-3-nitrobenzenesulfonyl)piperidine
- SCHEMBL5479477
- AKOS002287261
- 332021-39-3
- 4-benzyl-1-[(4-chloro-3-nitrophenyl)sulfonyl]piperidine
- Z45517033
- 4-benzyl-1-(4-chloro-3-nitrophenyl)sulfonylpiperidine
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- Inchi： 1S/C18H19ClN2O4S/c19-17-7-6-16(13-18(17)21(22)23)26(24,25)20-10-8-15(9-11-20)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2
- InChI Key： DPQFNVDWJFGNLC-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1[N+](=O)[O-])S(N1CCC(CC2C=CC=CC=2)CC1)(=O)=O
Computed Properties
- Exact Mass: 394.07557
- Monoisotopic Mass: 394.0754060g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 4
- Complexity: 575
- 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: 4.2
- Topological Polar Surface Area: 91.6?2
Experimental Properties
- PSA: 80.52
Piperidine, 1-[(4-chloro-3-nitrophenyl)sulfonyl]-4-(phenylmethyl)- Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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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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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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