Cas no 89840-79-9 (Benzenesulfonamide, N,N-bis(2-methylpropyl)-3-nitro-)
89840-79-9 structure
Product Name:Benzenesulfonamide, N,N-bis(2-methylpropyl)-3-nitro-
CAS No:89840-79-9
MF:C14H22N2O4S
MW:314.400482654572
CID:587504
PubChem ID:19682279
Update Time:2025-04-19
Benzenesulfonamide, N,N-bis(2-methylpropyl)-3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide, N,N-bis(2-methylpropyl)-3-nitro-
- N,N-bis(2-methylpropyl)-3-nitrobenzenesulfonamide
- DTXSID90599190
- 89840-79-9
- AKOS003837186
- N,N-DIISOBUTYL-3-NITRO-1-BENZENESULFONAMIDE
- N,N-Bis(2-methylpropyl)-3-nitrobenzene-1-sulfonamide
- STK417824
-
- Inchi： 1S/C14H22N2O4S/c1-11(2)9-15(10-12(3)4)21(19,20)14-7-5-6-13(8-14)16(17)18/h5-8,11-12H,9-10H2,1-4H3
- InChI Key： FSACVEJPRMIXQX-UHFFFAOYSA-N
- SMILES： S(C1C=CC=C(C=1)[N+](=O)[O-])(N(CC(C)C)CC(C)C)(=O)=O
Computed Properties
- Exact Mass: 314.13002836g/mol
- Monoisotopic Mass: 314.13002836g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 427
- 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: 3.1
- Topological Polar Surface Area: 91.6?2
Benzenesulfonamide, N,N-bis(2-methylpropyl)-3-nitro- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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