Cas no 349397-52-0 (N,N-bis(cyanomethyl)-4-fluorobenzenesulfonamide)
349397-52-0 structure
Product Name:N,N-bis(cyanomethyl)-4-fluorobenzenesulfonamide
CAS No:349397-52-0
MF:C10H8FN3O2S
MW:253.252823829651
CID:3067133
PubChem ID:668998
Update Time:2025-04-21
N,N-bis(cyanomethyl)-4-fluorobenzenesulfonamide Chemical and Physical Properties
Names and Identifiers
-
- N,N-bis(cyanomethyl)-4-fluorobenzenesulfonamide
- DTXSID001241095
- Oprea1_567163
- 349397-52-0
- N,N-BIS(CYANOMETHYL)-4-FLUOROBENZENE-1-SULFONAMIDE
- BRD-K64209358-001-01-1
- 2-{(cyanomethyl)[(4-fluorophenyl)sulfonyl]amino}ethanenitrile
- AKOS000670564
- STK019806
- Oprea1_797340
-
- Inchi： 1S/C10H8FN3O2S/c11-9-1-3-10(4-2-9)17(15,16)14(7-5-12)8-6-13/h1-4H,7-8H2
- InChI Key： JULKYSQDSUPXEA-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)F)(N(CC#N)CC#N)(=O)=O
Computed Properties
- Exact Mass: 253.03212584Da
- Monoisotopic Mass: 253.03212584Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 427
- 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: 0.7
- Topological Polar Surface Area: 93.3?2
N,N-bis(cyanomethyl)-4-fluorobenzenesulfonamide Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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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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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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