Cas no 449790-50-5 (Benzenesulfonamide,4-azido-3-nitro-)
449790-50-5 structure
Product Name:Benzenesulfonamide,4-azido-3-nitro-
CAS No:449790-50-5
MF:C6H5N5O4S
MW:243.199998617172
CID:327740
PubChem ID:45117833
Update Time:2025-04-19
Benzenesulfonamide,4-azido-3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide,4-azido-3-nitro-
- 4-azido-3-nitrobenzenesulfonamide
- AKOS017549987
- DTXSID40668688
- 4-Azido-3-nitrobenzene-1-sulfonamide
- 449790-50-5
-
- Inchi： 1S/C6H5N5O4S/c7-10-9-5-2-1-4(16(8,14)15)3-6(5)11(12)13/h1-3H,(H2,8,14,15)
- InChI Key： NKYSKYNABUIXFZ-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=C(C=1)[N+](=O)[O-])N=[N+]=[N-])(N)(=O)=O
Computed Properties
- Exact Mass: 243.006
- Monoisotopic Mass: 243.006
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 417
- 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
- Topological Polar Surface Area: 129A^2
- XLogP3: 1.2
Benzenesulfonamide,4-azido-3-nitro- Related Literature
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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