Cas no 58107-57-6 (Benzenesulfonamide, 4-methyl-N-(2-oxocyclohexyl)-)
58107-57-6 structure
Product Name:Benzenesulfonamide, 4-methyl-N-(2-oxocyclohexyl)-
CAS No:58107-57-6
MF:C13H17NO3S
MW:267.343982458115
CID:343081
PubChem ID:11184720
Update Time:2025-04-19
Benzenesulfonamide, 4-methyl-N-(2-oxocyclohexyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide, 4-methyl-N-(2-oxocyclohexyl)-
- 4-methyl-N-(2-oxocyclohexyl)benzenesulfonamide
- 4-methyl-N-(2-oxo-cyclohexyl)-benzenesulfonamide
- DTXSID20458064
- 58107-57-6
-
- Inchi： 1S/C13H17NO3S/c1-10-6-8-11(9-7-10)18(16,17)14-12-4-2-3-5-13(12)15/h6-9,12,14H,2-5H2,1H3
- InChI Key： UYDQOFHGRWXQEO-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(NC1C(CCCC1)=O)(=O)=O
Computed Properties
- Exact Mass: 267.09301
- Monoisotopic Mass: 267.09291458g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 391
- 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: 1.9
- Topological Polar Surface Area: 71.6?2
Experimental Properties
- PSA: 63.24
Benzenesulfonamide, 4-methyl-N-(2-oxocyclohexyl)- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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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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