N-(2-ethyl-2-methylsulfanylbutyl)-4-fluorobenzenesulfonamide

C13H20FNO2S2 — CID 113242756

IUPACN-(2-ethyl-2-methylsulfanylbutyl)-4-fluorobenzenesulfonamide
SMILESCCC(CC)(CNS(=O)(=O)c1ccc(F)cc1)SC
InChIInChI=1S/C13H20FNO2S2/c1-4-13(5-2,18-3)10-15-19(16,17)12-8-6-11(14)7-9-12/h6-9,15H,4-5,10H2,1-3H3
InChIKeyRNZVRENBZLHYOZ-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.03
Rot. Bonds7

About N-(2-ethyl-2-methylsulfanylbutyl)-4-fluorobenzenesulfonamide

N-(2-ethyl-2-methylsulfanylbutyl)-4-fluorobenzenesulfonamide (PubChem CID 113242756) has the molecular formula C13H20FNO2S2 and a molecular weight of 305.44 g/mol. Its IUPAC name is N-(2-ethyl-2-methylsulfanylbutyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-2-methylsulfanylbutyl)-4-fluorobenzenesulfonamide
PubChem CID113242756
Molecular FormulaC13H20FNO2S2
Molecular Weight305.44 g/mol
Exact Mass305.09
IUPAC NameN-(2-ethyl-2-methylsulfanylbutyl)-4-fluorobenzenesulfonamide
SMILESCCC(CC)(CNS(=O)(=O)c1ccc(F)cc1)SC
InChIInChI=1S/C13H20FNO2S2/c1-4-13(5-2,18-3)10-15-19(16,17)12-8-6-11(14)7-9-12/h6-9,15H,4-5,10H2,1-3H3
InChIKeyRNZVRENBZLHYOZ-UHFFFAOYSA-N
XLogP3.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 119988167
3-(aminomethyl)-4-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzenesulfonamide
CID 106092373
N-(2-ethyl-2-methylsulfanylbutyl)-3-fluoropyridine-2-sulfonamide
CID 114115952
N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-(hydroxymethyl)benzenesulfonamide
CID 106001804
4-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501111
4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43394414
4-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
CID 113090353
N-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide
CID 90499351
4-fluoro-N-[3-(4-fluorophenyl)prop-2-ynyl]benzenesulfonamide
CID 90552730
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-fluorobenzenesulfonamide
CID 114011015
N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide
CID 43606529
ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate
CID 3823010

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-4-fluorobenzenesulfonamide (CID 113242756) is N-(2-ethyl-2-methylsulfanylbutyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-ethyl-2-methylsulfanylbutyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-ethyl-2-methylsulfanylbutyl)-4-fluorobenzenesulfonamide is CCC(CC)(CNS(=O)(=O)c1ccc(F)cc1)SC.
What is the InChIKey of N-(2-ethyl-2-methylsulfanylbutyl)-4-fluorobenzenesulfonamide?
The InChIKey is RNZVRENBZLHYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2S2/c1-4-13(5-2,18-3)10-15-19(16,17)12-8-6-11(14)7-9-12/h6-9,15H,4-5,10H2,1-3H3.
What are the key properties of N-(2-ethyl-2-methylsulfanylbutyl)-4-fluorobenzenesulfonamide?
N-(2-ethyl-2-methylsulfanylbutyl)-4-fluorobenzenesulfonamide has a molecular weight of 305.44 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methylsulfanylbutyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 113242756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).