Cas no 139399-17-0 (Benzenesulfonamide, 2,4-dichloro-N,N-dimethyl-5-nitro-)
139399-17-0 structure
Product Name:Benzenesulfonamide, 2,4-dichloro-N,N-dimethyl-5-nitro-
CAS No:139399-17-0
MF:C8H8Cl2N2O4S
MW:299.131118774414
CID:1268717
PubChem ID:71342856
Update Time:2025-04-20
Benzenesulfonamide, 2,4-dichloro-N,N-dimethyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide, 2,4-dichloro-N,N-dimethyl-5-nitro-
- 2,4-dichloro-N,N-dimethyl-5-nitrobenzenesulfonamide
- 2,4-Dichloro-N,N-dimethyl-5-nitrobenzene-1-sulfonamide
- DTXSID10769555
- 139399-17-0
-
- Inchi： 1S/C8H8Cl2N2O4S/c1-11(2)17(15,16)8-4-7(12(13)14)5(9)3-6(8)10/h3-4H,1-2H3
- InChI Key： WWVGQKMEEJARAR-UHFFFAOYSA-N
- SMILES： ClC1=CC(=C(C=C1S(N(C)C)(=O)=O)[N+](=O)[O-])Cl
Computed Properties
- Exact Mass: 297.95834
- Monoisotopic Mass: 297.9581833g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 389
- 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: 2.2
- Topological Polar Surface Area: 91.6?2
Experimental Properties
- PSA: 80.52
Benzenesulfonamide, 2,4-dichloro-N,N-dimethyl-5-nitro- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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