Cas no 5450-75-9 (4-methyl-N-(2-phenylethyl)benzenesulfonamide)
5450-75-9 structure
Product Name:4-methyl-N-(2-phenylethyl)benzenesulfonamide
CAS No:5450-75-9
MF:C15H17NO2S
MW:275.36598277092
CID:941641
PubChem ID:225587
Update Time:2025-04-19
4-methyl-N-(2-phenylethyl)benzenesulfonamide Chemical and Physical Properties
Names and Identifiers
-
- 4-methyl-N-(2-phenylethyl)benzenesulfonamide
- 4-methyl-N-(2-phenylethyl)-benzenesulfonamide
- 4-methyl-N-phenethyl benzenesulfonamide
- AC1L5E5A
- AC1Q6W7B
- N-(2-phenylethyl)-4-methylbenzenesulfonamide
- N-(2-phenylethyl)-p-toluenesulfonamide
- N-Phenethyl-p-toluenesulfonamide
- NSC15155
- Oprea1_408641
- ST042257
- SureCN625181
- HMS2374D14
- SR-01000411212-1
- MFCD00661687
- AKOS001594917
- 4-methyl-N-phenethylbenzenesulfonamide
- 4-Methyl-N-phenethyl-benzenesulfonamide
- MLS000530473-02
- HJIXJBGIPKKBSG-UHFFFAOYSA-N
- 4-Methyl-N-(2-phenylethyl)benzenesulfonamide #
- NSC-15155
- SCHEMBL625181
- N-Tosylphenethylamine
- CHEMBL1564681
- 5450-75-9
- STK003882
- HS-4378
- N-phenylethyl-p-toluenesulfonamide
- SR-01000411212
- SMR000135451
- 4-METHYL-N-(2-PHENYLETHYL)BENZENE-1-SULFONAMIDE
- MLS000530473
- DTXSID70280039
-
- Inchi: 1S/C15H17NO2S/c1-13-7-9-15(10-8-13)19(17,18)16-12-11-14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3
- InChI Key: HJIXJBGIPKKBSG-UHFFFAOYSA-N
- SMILES: S(C1C=CC(C)=CC=1)(NCCC1C=CC=CC=1)(=O)=O
Computed Properties
- Exact Mass: 275.09811
- Monoisotopic Mass: 275.098
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 347
- 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
- Topological Polar Surface Area: 54.6A^2
- XLogP3: 3.2
Experimental Properties
- Density: 1.179
- Boiling Point: 432.4°C at 760 mmHg
- Flash Point: 215.3°C
- Refractive Index: 1.58
- PSA: 46.17
- LogP: 3.98770
4-methyl-N-(2-phenylethyl)benzenesulfonamide Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Xiuxia Yang,Lei Zhao,Zhichao Liu,Shuyu Tian,Hao Zhang,Xuhui Xu,Jianbei Qiu,Xue Yu Phys. Chem. Chem. Phys., 2020,22, 16294-16300
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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