4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide

C8H16F3NO2S — CID 82903855

IUPAC4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide
SMILESCC(C)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-7(2)6-12-15(13,14)5-3-4-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyZAXVCYZQBNCHGG-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.90
Rot. Bonds6

About 4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide

4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide (PubChem CID 82903855) has the molecular formula C8H16F3NO2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide
PubChem CID82903855
Molecular FormulaC8H16F3NO2S
Molecular Weight247.28 g/mol
Exact Mass247.09
IUPAC Name4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide
SMILESCC(C)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-7(2)6-12-15(13,14)5-3-4-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyZAXVCYZQBNCHGG-UHFFFAOYSA-N
XLogP1.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059418
N-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106125756
N-(4-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106135566
4,4,4-trifluoro-N-[3-(2-methylpropoxy)propyl]butane-1-sulfonamide
CID 71905535
N-(2-methylpropyl)hexadecane-1-sulfonamide
CID 22976871
4,4,4-trifluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide
CID 83059566
N-(2-ethyl-2-hydroxybutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059714
4-methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
CID 83068023
N-(4-chloro-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106146106
4,4,4-trifluoro-N-(4-hydroxy-3-methylbutan-2-yl)butane-1-sulfonamide
CID 115967682
N-(5-aminopentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059740
3-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)butanoic acid
CID 83067949

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide (CID 82903855) is 4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide is CC(C)CNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide?
The InChIKey is ZAXVCYZQBNCHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2S/c1-7(2)6-12-15(13,14)5-3-4-8(9,10)11/h7,12H,3-6H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide?
4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide has a molecular weight of 247.28 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide is sourced from PubChem (CID 82903855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).