Cas no 116-47-2 (Benzenesulfonamide,4-amino-N-cyano-)
116-47-2 structure
Product Name:Benzenesulfonamide,4-amino-N-cyano-
Benzenesulfonamide,4-amino-N-cyano- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide,4-amino-N-cyano-
- 4-amino-N-cyanobenzenesulfonamide
- N-Cyano-4-aminophenylsulfonamide
- Sulcimide
- N-Cyano-4-aminobenzenesulfonamide
- DTXSID90151257
- Benzenesulfonamide, 4-amino-N-cyano-
- SCHEMBL8645355
- p-aminophenylsulfonylcyanamide
- CHEMBL141646
- 116-47-2
-
- Inchi: 1S/C7H7N3O2S/c8-5-10-13(11,12)7-3-1-6(9)2-4-7/h1-4,10H,9H2
- InChI Key: NXBPVAODVMAXNK-UHFFFAOYSA-N
- SMILES: S(C1C=CC(=CC=1)N)(NC#N)(=O)=O
Computed Properties
- Exact Mass: 197.02601
- Monoisotopic Mass: 197.026
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 302
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 0.3
- Topological Polar Surface Area: 104A^2
Experimental Properties
- Density: 1.453
- Boiling Point: 397.5°Cat760mmHg
- Flash Point: 194.2°C
- Refractive Index: 1.615
- PSA: 95.98
Benzenesulfonamide,4-amino-N-cyano- Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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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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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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