Cas no 61997-56-6 (Benzenesulfonamide, 4-chloro-N-(2-oxo-3-oxetanyl)-)
61997-56-6 structure
Product Name:Benzenesulfonamide, 4-chloro-N-(2-oxo-3-oxetanyl)-
CAS No:61997-56-6
MF:C9H8ClNO4S
MW:261.682120323181
CID:461231
PubChem ID:71390779
Update Time:2025-04-19
Benzenesulfonamide, 4-chloro-N-(2-oxo-3-oxetanyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide, 4-chloro-N-(2-oxo-3-oxetanyl)-
- 4-chloro-N-(2-oxooxetan-3-yl)benzenesulfonamide
- 61997-56-6
- DTXSID30812678
- 4-Chloro-N-(2-oxooxetan-3-yl)benzene-1-sulfonamide
-
- Inchi： 1S/C9H8ClNO4S/c10-6-1-3-7(4-2-6)16(13,14)11-8-5-15-9(8)12/h1-4,8,11H,5H2
- InChI Key： BSVVKYIURLVKBI-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)S(NC1C(=O)OC1)(=O)=O
Computed Properties
- Exact Mass: 260.98634
- Monoisotopic Mass: 260.9862566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 370
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 80.8?2
Experimental Properties
- PSA: 72.47
Benzenesulfonamide, 4-chloro-N-(2-oxo-3-oxetanyl)- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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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