Cas no 453562-01-1 (1-Methyl-4-[(3-nitrophenyl)sulfonyl]piperazine)
453562-01-1 structure
Product Name:1-Methyl-4-[(3-nitrophenyl)sulfonyl]piperazine
CAS No:453562-01-1
MF:C11H15N3O4S
MW:285.319501161575
CID:2120709
PubChem ID:2842418
Update Time:2025-04-21
1-Methyl-4-[(3-nitrophenyl)sulfonyl]piperazine Chemical and Physical Properties
Names and Identifiers
-
- 1-Methyl-4-[(3-nitrophenyl)sulfonyl]piperazine
- Piperazine, 1-methyl-4-[(3-nitrophenyl)sulfonyl]-
- STK128936
- CHEMBL1301440
- SR-01000205742-1
- SCHEMBL448170
- 453562-01-1
- 3-[(4-methylpiperazinyl)sulfonyl]-1-nitrobenzene
- 1-Methyl-4-[(3-nitrophenyl)sulphonyl]piperazine
- 1-methyl-4-(3-nitrophenyl)sulfonylpiperazine
- AKOS003335825
- SMR000185517
- SR-01000205742
- DB-301501
- 1-Methyl-4-((3-nitrophenyl)sulfonyl)piperazine
- 1-Methyl-4-[(3-nitrobenzene)sulfonyl]piperazine
- HMS2431O20
- 1-Methyl-4-(3-nitro-benzenesulfonyl)-piperazine
- 3-[(4-methylpiperazinyl) sulfonyl]-1-nitrobenzene
- MLS000577527
-
- Inchi: 1S/C11H15N3O4S/c1-12-5-7-13(8-6-12)19(17,18)11-4-2-3-10(9-11)14(15)16/h2-4,9H,5-8H2,1H3
- InChI Key: DIVBSLFLEUQVSP-UHFFFAOYSA-N
- SMILES: S(C1C=CC=C(C=1)[N+](=O)[O-])(N1CCN(C)CC1)(=O)=O
Computed Properties
- Exact Mass: 285.07832714Da
- Monoisotopic Mass: 285.07832714Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 420
- 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: 0.7
- Topological Polar Surface Area: 94.8?2
1-Methyl-4-[(3-nitrophenyl)sulfonyl]piperazine Related Literature
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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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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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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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
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