Cas no 87316-90-3 (Benzenesulfonamide, 4-methyl-N-(2-methyl-5-nitrophenyl)-3-nitro-)
87316-90-3 structure
Product Name:Benzenesulfonamide, 4-methyl-N-(2-methyl-5-nitrophenyl)-3-nitro-
CAS No:87316-90-3
MF:C14H13N3O6S
MW:351.334522008896
CID:657425
PubChem ID:13292152
Update Time:2025-04-19
Benzenesulfonamide, 4-methyl-N-(2-methyl-5-nitrophenyl)-3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide, 4-methyl-N-(2-methyl-5-nitrophenyl)-3-nitro-
- 4-methyl-N-(2-methyl-5-nitrophenyl)-3-nitrobenzenesulfonamide
- DTXSID00535100
- 87316-90-3
- 4-Methyl-N-(2-methyl-5-nitrophenyl)-3-nitrobenzene-1-sulfonamide
- CHEMBL2289637
-
- Inchi: 1S/C14H13N3O6S/c1-9-3-5-11(16(18)19)7-13(9)15-24(22,23)12-6-4-10(2)14(8-12)17(20)21/h3-8,15H,1-2H3
- InChI Key: JGVQMWSVEWWKAU-UHFFFAOYSA-N
- SMILES: S(C1C=CC(C)=C(C=1)[N+](=O)[O-])(NC1C=C(C=CC=1C)[N+](=O)[O-])(=O)=O
Computed Properties
- Exact Mass: 351.05250632g/mol
- Monoisotopic Mass: 351.05250632g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 24
- Rotatable Bond Count: 3
- Complexity: 579
- 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: 2.8
- Topological Polar Surface Area: 146?2
Benzenesulfonamide, 4-methyl-N-(2-methyl-5-nitrophenyl)-3-nitro- Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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