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

C8H16F3NO3S — CID 83059566

IUPAC4,4,4-trifluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide
SMILESCC(C)(O)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c1-7(2,13)6-12-16(14,15)5-3-4-8(9,10)11/h12-13H,3-6H2,1-2H3
InChIKeyACSUGKKHGMQLAS-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.02
Rot. Bonds6

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

4,4,4-trifluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide (PubChem CID 83059566) has the molecular formula C8H16F3NO3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide
PubChem CID83059566
Molecular FormulaC8H16F3NO3S
Molecular Weight263.28 g/mol
Exact Mass263.08
IUPAC Name4,4,4-trifluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide
SMILESCC(C)(O)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c1-7(2,13)6-12-16(14,15)5-3-4-8(9,10)11/h12-13H,3-6H2,1-2H3
InChIKeyACSUGKKHGMQLAS-UHFFFAOYSA-N
XLogP1.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059714
N-(4-chloro-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106146106
4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide
CID 82903855
N-(4-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106135566
N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059418
N-(1,3-dichloro-2-methylpropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059299
N-(2-hydroxy-2-methylpropyl)-2-propan-2-yloxyethanesulfonamide
CID 79593878
N-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106125756
methyl 4-(2,2,2-trifluoroethylsulfamoyl)butanoate
CID 61460318
3-chloro-N-(4,4,4-trifluorobutyl)propane-1-sulfonamide
CID 115521751
1,1,1-trifluoro-4-methylsulfonylbutane
CID 89466029
1,1,1,6,6,6-hexafluoro-2-methylhexan-2-ol
CID 116535920

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide (CID 83059566) is 4,4,4-trifluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide is CC(C)(O)CNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide?
The InChIKey is ACSUGKKHGMQLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO3S/c1-7(2,13)6-12-16(14,15)5-3-4-8(9,10)11/h12-13H,3-6H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide?
4,4,4-trifluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide has a molecular weight of 263.28 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide is sourced from PubChem (CID 83059566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).