Cas no 80348-52-3 (1H-Imidazole-5-sulfonamide,N-(2-chlorophenyl)-1-methyl-4-nitro-)
80348-52-3 structure
Product Name:1H-Imidazole-5-sulfonamide,N-(2-chlorophenyl)-1-methyl-4-nitro-
CAS No:80348-52-3
MF:C10H9ClN4O4S
MW:316.720859289169
CID:733148
PubChem ID:240370
Update Time:2025-04-19
1H-Imidazole-5-sulfonamide,N-(2-chlorophenyl)-1-methyl-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-5-sulfonamide,N-(2-chlorophenyl)-1-methyl-4-nitro-
- NSC-46513
- DTXSID001001174
- NSC46513
- 80348-52-3
- N-(2-Chlorophenyl)-1-methyl-4-nitro-1H-imidazole-5-sulfonamide
-
- Inchi： 1S/C10H9ClN4O4S/c1-14-6-12-9(15(16)17)10(14)20(18,19)13-8-5-3-2-4-7(8)11/h2-6,13H,1H3
- InChI Key： DJUGFWBHFFEYID-UHFFFAOYSA-N
- SMILES： ClC1C=CC=CC=1NS(C1=C([N+](=O)[O-])N=CN1C)(=O)=O
Computed Properties
- Exact Mass: 316.003
- Monoisotopic Mass: 316.003
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 463
- 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: 1.8
- Topological Polar Surface Area: 118?2
Experimental Properties
- Density: 1.65
- Boiling Point: 568.9°Cat760mmHg
- Flash Point: 297.9°C
- Refractive Index: 1.695
1H-Imidazole-5-sulfonamide,N-(2-chlorophenyl)-1-methyl-4-nitro- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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