Cas no 16669-89-9 (Benzenesulfonamide, 4-methyl-3-nitro-N-(4-nitrophenyl)-)
16669-89-9 structure
Product Name:Benzenesulfonamide, 4-methyl-3-nitro-N-(4-nitrophenyl)-
CAS No:16669-89-9
MF:C13H11N3O6S
MW:337.307941675186
CID:1346821
PubChem ID:13292151
Update Time:2025-04-20
Benzenesulfonamide, 4-methyl-3-nitro-N-(4-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide, 4-methyl-3-nitro-N-(4-nitrophenyl)-
- 4-methyl-3-nitro-N-(4-nitrophenyl)benzenesulfonamide
- 4-Methyl-3-nitro-N-(4-nitrophenyl)benzene-1-sulfonamide
- CHEMBL2285846
- DTXSID50535099
- 16669-89-9
-
- Inchi： 1S/C13H11N3O6S/c1-9-2-7-12(8-13(9)16(19)20)23(21,22)14-10-3-5-11(6-4-10)15(17)18/h2-8,14H,1H3
- InChI Key： POOOQGOAMUWLJX-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=C(C=1)[N+](=O)[O-])(NC1C=CC(=CC=1)[N+](=O)[O-])(=O)=O
Computed Properties
- Exact Mass: 337.03685625g/mol
- Monoisotopic Mass: 337.03685625g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 542
- 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: 2.5
- Topological Polar Surface Area: 146?2
Benzenesulfonamide, 4-methyl-3-nitro-N-(4-nitrophenyl)- Related Literature
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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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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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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