Cas no 16611-57-7 (Benzenesulfonamide, 2-(dimethylamino)-5-nitro-)
16611-57-7 structure
Product Name:Benzenesulfonamide, 2-(dimethylamino)-5-nitro-
CAS No:16611-57-7
MF:C8H11N3O4S
MW:245.255640268326
CID:1346465
PubChem ID:12369608
Update Time:2025-04-20
Benzenesulfonamide, 2-(dimethylamino)-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide, 2-(dimethylamino)-5-nitro-
- 16611-57-7
- 2-(Dimethylamino)-5-nitrobenzenesulfonamide
- DTXSID701260452
-
- Inchi： 1S/C8H11N3O4S/c1-10(2)7-4-3-6(11(12)13)5-8(7)16(9,14)15/h3-5H,1-2H3,(H2,9,14,15)
- InChI Key： PNPUSUZXMFPOJB-UHFFFAOYSA-N
- SMILES： S(C1C=C(C=CC=1N(C)C)[N+](=O)[O-])(N)(=O)=O
Computed Properties
- Exact Mass: 245.04702701g/mol
- Monoisotopic Mass: 245.04702701g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 357
- 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: 0.4
- Topological Polar Surface Area: 118?2
Benzenesulfonamide, 2-(dimethylamino)-5-nitro- Related Literature
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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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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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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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