Cas no 654-58-0 (1,3-Benzenedisulfonamide, 4-amino-6-(pentafluoroethyl)-)
654-58-0 structure
Product Name:1,3-Benzenedisulfonamide, 4-amino-6-(pentafluoroethyl)-
CAS No:654-58-0
MF:C8H8F5N3O4S2
MW:369.288836479187
CID:399222
PubChem ID:21487679
Update Time:2025-04-19
1,3-Benzenedisulfonamide, 4-amino-6-(pentafluoroethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedisulfonamide, 4-amino-6-(pentafluoroethyl)-
- 4-amino-6-(1,1,2,2,2-pentafluoroethyl)benzene-1,3-disulfonamide
- 654-58-0
- SCHEMBL11690378
- 4-Amino-6-(pentafluoroethyl)benzene-1,3-disulfonamide
- DTXSID90614675
- FFXJGXITPRODFT-UHFFFAOYSA-N
-
- Inchi： 1S/C8H8F5N3O4S2/c9-7(10,8(11,12)13)3-1-4(14)6(22(16,19)20)2-5(3)21(15,17)18/h1-2H,14H2,(H2,15,17,18)(H2,16,19,20)
- InChI Key： FFXJGXITPRODFT-UHFFFAOYSA-N
- SMILES： S(C1C=C(C(=CC=1C(C(F)(F)F)(F)F)N)S(N)(=O)=O)(N)(=O)=O
Computed Properties
- Exact Mass: 368.98763890g/mol
- Monoisotopic Mass: 368.98763890g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 622
- 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: 0.5
- Topological Polar Surface Area: 163?2
1,3-Benzenedisulfonamide, 4-amino-6-(pentafluoroethyl)- Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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