Cas no 87316-82-3 (Benzenesulfonamide, N-(4-iodophenyl)-4-methyl-3-nitro-)
87316-82-3 structure
Product Name:Benzenesulfonamide, N-(4-iodophenyl)-4-methyl-3-nitro-
CAS No:87316-82-3
MF:C13H11IN2O4S
MW:418.206914186478
CID:657433
PubChem ID:3323493
Update Time:2025-04-19
Benzenesulfonamide, N-(4-iodophenyl)-4-methyl-3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide, N-(4-iodophenyl)-4-methyl-3-nitro-
- N-(4-iodophenyl)-4-methyl-3-nitrobenzenesulfonamide
- DTXSID00391460
- AKOS003634480
- 87316-82-3
-
- Inchi： 1S/C13H11IN2O4S/c1-9-2-7-12(8-13(9)16(17)18)21(19,20)15-11-5-3-10(14)4-6-11/h2-8,15H,1H3
- InChI Key： ZBBMWVRPONUIEZ-UHFFFAOYSA-N
- SMILES： IC1C=CC(=CC=1)NS(C1C=CC(C)=C(C=1)[N+](=O)[O-])(=O)=O
Computed Properties
- Exact Mass: 417.94843g/mol
- Monoisotopic Mass: 417.94843g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 466
- 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: 3.3
- Topological Polar Surface Area: 100?2
Benzenesulfonamide, N-(4-iodophenyl)-4-methyl-3-nitro- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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