Cas no 80360-15-2 (1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester)
80360-15-2 structure
Product Name:1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester
CAS No:80360-15-2
MF:C17H15NO4S
MW:329.37030339241
CID:705812
PubChem ID:506826
Update Time:2025-04-19
1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester
- ethyl 1-(benzenesulfonyl)indole-3-carboxylate
- DTXSID30333459
- 1h-indole-3-carboxylic acid,1-(phenylsulfonyl)-,ethyl ester
- CHEMBL310331
- 80360-15-2
-
- Inchi： 1S/C17H15NO4S/c1-2-22-17(19)15-12-18(16-11-7-6-10-14(15)16)23(20,21)13-8-4-3-5-9-13/h3-12H,2H2,1H3
- InChI Key： OXYQSCWGVLKSEB-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(N1C=C(C(=O)OCC)C2C=CC=CC1=2)(=O)=O
Computed Properties
- Exact Mass: 329.07217913g/mol
- Monoisotopic Mass: 329.07217913g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 5
- Complexity: 521
- 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: 3.4
- Topological Polar Surface Area: 73.8?2
1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester Related Literature
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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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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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