Cas no 109847-18-9 (Benzenesulfonamide, N-(2-methylphenyl)-4-nitro-)
109847-18-9 structure
Product Name:Benzenesulfonamide, N-(2-methylphenyl)-4-nitro-
CAS No:109847-18-9
MF:C13H12N2O4S
MW:292.310381889343
CID:1188243
PubChem ID:779038
Update Time:2025-04-20
Benzenesulfonamide, N-(2-methylphenyl)-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide, N-(2-methylphenyl)-4-nitro-
- 4-nitro-N-(2-tolyl)benzenesulfonamide
- CHEMBL425482
- Z45630531
- 109847-18-9
- N-(2-methylphenyl)-4-nitrobenzenesulfonamide
- 4-nitro-N-o-tolyl-benzenesulfonamide
- N-(2-METHYLPHENYL)-4-NITRO-1-BENZENESULFONAMIDE
- AKOS002968949
- STK035755
- SCHEMBL2241124
- starbld0005638
- 4-Nitro-N-(o-tolyl)benzenesulfonamide
-
- Inchi： 1S/C13H12N2O4S/c1-10-4-2-3-5-13(10)14-20(18,19)12-8-6-11(7-9-12)15(16)17/h2-9,14H,1H3
- InChI Key： MKUXLTTXEGASSZ-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)[N+](=O)[O-])(NC1C=CC=CC=1C)(=O)=O
Computed Properties
- Exact Mass: 292.05186
- Monoisotopic Mass: 292.05177804g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 432
- 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: 100?2
Experimental Properties
- PSA: 89.31
Benzenesulfonamide, N-(2-methylphenyl)-4-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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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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