Cas no 329939-42-6 (1-[(4-bromophenyl)sulfonyl]-3-methylpiperidine)
![1-[(4-bromophenyl)sulfonyl]-3-methylpiperidine structure](https://ossimg.kuujia.com/scimg/330000/329939-42-6x500.png)
329939-42-6 structure
Product Name:1-[(4-bromophenyl)sulfonyl]-3-methylpiperidine
CAS No:329939-42-6
MF:C12H16BrNO2S
MW:318.229941368103
CID:3054382
PubChem ID:3118652
Update Time:2025-04-21
1-[(4-bromophenyl)sulfonyl]-3-methylpiperidine Chemical and Physical Properties
Names and Identifiers
-
- 1-[(4-bromophenyl)sulfonyl]-3-methylpiperidine
- 1-(4-bromobenzenesulfonyl)-3-methylpiperidine
- Z45511375
- 4-bromo-1-[(3-methylpiperidyl)sulfonyl]benzene
- SR-01000316417-1
- SR-01000316417
- AKOS000675540
- 329939-42-6
- 1-((4-BROMOPHENYL)SULFONYL)-3-METHYLPIPERIDINE
- Oprea1_760556
- STK085305
- Oprea1_535325
- AKOS016338236
- 1-(4-bromophenyl)sulfonyl-3-methylpiperidine
- AK-968/11573076
-
- Inchi： 1S/C12H16BrNO2S/c1-10-3-2-8-14(9-10)17(15,16)12-6-4-11(13)5-7-12/h4-7,10H,2-3,8-9H2,1H3
- InChI Key： OHLGNIVLMQBOLM-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)S(N1CCCC(C)C1)(=O)=O
Computed Properties
- Exact Mass: 317.00851Da
- Monoisotopic Mass: 317.00851Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 344
- 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: 3
- Topological Polar Surface Area: 45.8?2
1-[(4-bromophenyl)sulfonyl]-3-methylpiperidine Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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