Cas no 867333-27-5 (4-Bromo-N-methyl-N-(2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide)
867333-27-5 structure
Product Name:4-Bromo-N-methyl-N-(2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide
CAS No:867333-27-5
MF:C13H19BrN2O2S
MW:347.271161317825
CID:2195334
Update Time:2023-08-07
4-Bromo-N-methyl-N-(2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide Chemical and Physical Properties
Names and Identifiers
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- 4-Bromo-n-methyl-n-(2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide
- KIGUXVPIRLNBTI-UHFFFAOYSA-N
- 4-Bromo-N-methyl-N-(2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide
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- Inchi： 1S/C13H19BrN2O2S/c1-15(10-11-16-8-2-3-9-16)19(17,18)13-6-4-12(14)5-7-13/h4-7H,2-3,8-11H2,1H3
- InChI Key： KIGUXVPIRLNBTI-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)S(N(C)CCN1CCCC1)(=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 369
- Topological Polar Surface Area: 49
4-Bromo-N-methyl-N-(2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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