Cas no 5491-22-5 (N-butyl-2-fluorobenzenesulfonamide)
5491-22-5 structure
Product Name:N-butyl-2-fluorobenzenesulfonamide
CAS No:5491-22-5
MF:C10H14FNO2S
MW:231.287065029144
CID:1591461
PubChem ID:2113465
Update Time:2025-04-21
N-butyl-2-fluorobenzenesulfonamide Chemical and Physical Properties
Names and Identifiers
-
- N-butyl-2-fluorobenzenesulfonamide
- AKOS008940097
- Z45516942
- N-butyl-2-fluorobenzene-1-sulfonamide
- HMS1787N09
- 743444-97-5
- 5491-22-5
- DTXSID70366589
- ZINC02650277
-
- Inchi: 1S/C10H14FNO2S/c1-2-3-8-12-15(13,14)10-7-5-4-6-9(10)11/h4-7,12H,2-3,8H2,1H3
- InChI Key: KTLKHMUEDGZXFK-UHFFFAOYSA-N
- SMILES: S(C1C=CC=CC=1F)(NCCCC)(=O)=O
Computed Properties
- Exact Mass: 231.07302
- Monoisotopic Mass: 231.073
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 274
- 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: 2.2
- Topological Polar Surface Area: 54.6?2
Experimental Properties
- Density: 1.193
- Boiling Point: 329°C at 760 mmHg
- Flash Point: 152.8°C
- Refractive Index: 1.509
- PSA: 46.17
N-butyl-2-fluorobenzenesulfonamide Related Literature
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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