Cas no 33920-36-4 (N-(methylsulfonyl)-3-nitroBenzamide)
33920-36-4 structure
Product Name:N-(methylsulfonyl)-3-nitroBenzamide
CAS No:33920-36-4
MF:C8H8N2O5S
MW:244.224520683289
CID:2109856
PubChem ID:19603527
Update Time:2025-04-21
N-(methylsulfonyl)-3-nitroBenzamide Chemical and Physical Properties
Names and Identifiers
-
- N-(methylsulfonyl)-3-nitroBenzamide
- 3-Nitro-N-(methanesulfonyl)phenylcarboxamide
- DA-06694
- 33920-36-4
- SCHEMBL6639356
- CRLHSMGRRDSIPC-UHFFFAOYSA-N
- 1-(Methylsulphonylaminocarbonyl)-3-nitrobenzene
-
- Inchi： 1S/C8H8N2O5S/c1-16(14,15)9-8(11)6-3-2-4-7(5-6)10(12)13/h2-5H,1H3,(H,9,11)
- InChI Key： CRLHSMGRRDSIPC-UHFFFAOYSA-N
- SMILES： S(C)(NC(C1C=CC=C(C=1)[N+](=O)[O-])=O)(=O)=O
Computed Properties
- Exact Mass: 244.01539253Da
- Monoisotopic Mass: 244.01539253Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 380
- 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: 0.5
- Topological Polar Surface Area: 117?2
N-(methylsulfonyl)-3-nitroBenzamide Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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