4,4,4-trifluoro-N-(4-hydroxy-3-methylbutan-2-yl)butane-1-sulfonamide

C9H18F3NO3S — CID 115967682

IUPAC4,4,4-trifluoro-N-(4-hydroxy-3-methylbutan-2-yl)butane-1-sulfonamide
SMILESCC(CO)C(C)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H18F3NO3S/c1-7(6-14)8(2)13-17(15,16)5-3-4-9(10,11)12/h7-8,13-14H,3-6H2,1-2H3
InChIKeyFAJMWTVDRUVMHT-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.27
Rot. Bonds7

About 4,4,4-trifluoro-N-(4-hydroxy-3-methylbutan-2-yl)butane-1-sulfonamide

4,4,4-trifluoro-N-(4-hydroxy-3-methylbutan-2-yl)butane-1-sulfonamide (PubChem CID 115967682) has the molecular formula C9H18F3NO3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(4-hydroxy-3-methylbutan-2-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(4-hydroxy-3-methylbutan-2-yl)butane-1-sulfonamide
PubChem CID115967682
Molecular FormulaC9H18F3NO3S
Molecular Weight277.31 g/mol
Exact Mass277.10
IUPAC Name4,4,4-trifluoro-N-(4-hydroxy-3-methylbutan-2-yl)butane-1-sulfonamide
SMILESCC(CO)C(C)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H18F3NO3S/c1-7(6-14)8(2)13-17(15,16)5-3-4-9(10,11)12/h7-8,13-14H,3-6H2,1-2H3
InChIKeyFAJMWTVDRUVMHT-UHFFFAOYSA-N
XLogP1.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(4-hydroxy-3-methylbutan-2-yl)ethanesulfonamide
CID 107652469
3-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)butanoic acid
CID 83067949
4-methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
CID 83068023
N-(5-aminopentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059740
4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide
CID 82903855
4,4,4-trifluoro-N-pent-1-yn-3-ylbutane-1-sulfonamide
CID 106898603
3-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid
CID 83068407
1-hydroxy-2-methyl-3-(sulfamoylamino)butane
CID 115643202
2-(4,4,4-trifluorobutylsulfonylamino)pent-4-ynoic acid
CID 83068112
2-hydroxy-N-(3-methylpentan-2-yl)ethanesulfonamide
CID 79589472
N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059418
4,4,4-trifluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide
CID 83059566

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(4-hydroxy-3-methylbutan-2-yl)butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-(4-hydroxy-3-methylbutan-2-yl)butane-1-sulfonamide (CID 115967682) is 4,4,4-trifluoro-N-(4-hydroxy-3-methylbutan-2-yl)butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(4-hydroxy-3-methylbutan-2-yl)butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-(4-hydroxy-3-methylbutan-2-yl)butane-1-sulfonamide is CC(CO)C(C)NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(4-hydroxy-3-methylbutan-2-yl)butane-1-sulfonamide?
The InChIKey is FAJMWTVDRUVMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO3S/c1-7(6-14)8(2)13-17(15,16)5-3-4-9(10,11)12/h7-8,13-14H,3-6H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-(4-hydroxy-3-methylbutan-2-yl)butane-1-sulfonamide?
4,4,4-trifluoro-N-(4-hydroxy-3-methylbutan-2-yl)butane-1-sulfonamide has a molecular weight of 277.31 g/mol, XLogP of 1.27, 7 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-(4-hydroxy-3-methylbutan-2-yl)butane-1-sulfonamide is sourced from PubChem (CID 115967682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).