Cas no 648899-01-8 (1-Naphthalenesulfonamide, 5-amino-N-(4-fluorophenyl)-)
648899-01-8 structure
Product Name:1-Naphthalenesulfonamide, 5-amino-N-(4-fluorophenyl)-
CAS No:648899-01-8
MF:C16H13FN2O2S
MW:316.350025892258
CID:413107
PubChem ID:71378129
Update Time:2025-04-19
1-Naphthalenesulfonamide, 5-amino-N-(4-fluorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthalenesulfonamide, 5-amino-N-(4-fluorophenyl)-
- 5-amino-N-(4-fluorophenyl)naphthalene-1-sulfonamide
- 648899-01-8
- DTXSID70800751
-
- Inchi： 1S/C16H13FN2O2S/c17-11-7-9-12(10-8-11)19-22(20,21)16-6-2-3-13-14(16)4-1-5-15(13)18/h1-10,19H,18H2
- InChI Key： PMYKQQNHAYCJHM-UHFFFAOYSA-N
- SMILES： S(C1=CC=CC2C(=CC=CC1=2)N)(NC1C=CC(=CC=1)F)(=O)=O
Computed Properties
- Exact Mass: 316.06829
- Monoisotopic Mass: 316.06817700g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 471
- 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: 3.1
- Topological Polar Surface Area: 80.6?2
Experimental Properties
- PSA: 72.19
1-Naphthalenesulfonamide, 5-amino-N-(4-fluorophenyl)- Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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