Cas no 5465-51-0 (4-tritylbenzenesulfonamide)
4-tritylbenzenesulfonamide structure
Product Name:4-tritylbenzenesulfonamide
CAS No:5465-51-0
MF:C25H21NO2S
MW:399.50474524498
CID:942393
PubChem ID:232017
Update Time:2025-04-19
4-tritylbenzenesulfonamide Chemical and Physical Properties
Names and Identifiers
-
- 4-tritylbenzenesulfonamide
- AC1L5MYQ
- AC1Q6TWC
- AG-K-37434
- AR-1G4831
- CTK5A2107
- NSC29019
- NSC-29019
- DTXSID90282979
- 5465-51-0
-
- Inchi： 1S/C25H21NO2S/c26-29(27,28)24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H,(H2,26,27,28)
- InChI Key： VBSCUQGLDCOGDE-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)C(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)(N)(=O)=O
Computed Properties
- Exact Mass: 399.12943
- Monoisotopic Mass: 399.129
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 29
- Rotatable Bond Count: 5
- Complexity: 554
- 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: 5.5
- Topological Polar Surface Area: 68.5?2
Experimental Properties
- Density: 1.229
- Boiling Point: 553.7°C at 760 mmHg
- Flash Point: 288.7°C
- Refractive Index: 1.646
- PSA: 60.16
4-tritylbenzenesulfonamide Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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