Cas no 918494-39-0 (1H-Indole-2-carboxylic acid, 5-bromo-3-(1-pyrrolidinylsulfonyl)-)
918494-39-0 structure
Product Name:1H-Indole-2-carboxylic acid, 5-bromo-3-(1-pyrrolidinylsulfonyl)-
CAS No:918494-39-0
MF:C13H13BrN2O4S
MW:373.222321271896
CID:774593
PubChem ID:68657501
Update Time:2025-04-19
1H-Indole-2-carboxylic acid, 5-bromo-3-(1-pyrrolidinylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Indole-2-carboxylic acid, 5-bromo-3-(1-pyrrolidinylsulfonyl)-
- 5-bromo-3-pyrrolidin-1-ylsulfonyl-1H-indole-2-carboxylic acid
- INPCTETUAZKWOV-UHFFFAOYSA-N
- 5-Bromo-3-(pyrrolidine-1-sulfonyl)-1H-indole-2-carboxylic acid
- 5-Bromo-3-(pyrrolidin-1-ylsulfonyl)-1H-indole-2-carboxylic acid
- SCHEMBL3476668
- DTXSID60738736
- FT-0704757
- 918494-39-0
-
- Inchi： 1S/C13H13BrN2O4S/c14-8-3-4-10-9(7-8)12(11(15-10)13(17)18)21(19,20)16-5-1-2-6-16/h3-4,7,15H,1-2,5-6H2,(H,17,18)
- InChI Key： INPCTETUAZKWOV-UHFFFAOYSA-N
- SMILES： BrC1C=CC2=C(C=1)C(=C(C(=O)O)N2)S(N1CCCC1)(=O)=O
Computed Properties
- Exact Mass: 371.97794g/mol
- Monoisotopic Mass: 371.97794g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 515
- 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: 2.2
- Topological Polar Surface Area: 98.8?2
1H-Indole-2-carboxylic acid, 5-bromo-3-(1-pyrrolidinylsulfonyl)- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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