4-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]butane-1-sulfonamide

C7H14F3NO3S2 — CID 106433683

IUPAC4-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]butane-1-sulfonamide
SMILESO=S(=O)(CCCCO)NCCSC(F)(F)F
InChIInChI=1S/C7H14F3NO3S2/c8-7(9,10)15-5-3-11-16(13,14)6-2-1-4-12/h11-12H,1-6H2
InChIKeyKLGAUDGJHLDBOZ-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.93
Rot. Bonds8

About 4-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]butane-1-sulfonamide

4-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]butane-1-sulfonamide (PubChem CID 106433683) has the molecular formula C7H14F3NO3S2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]butane-1-sulfonamide
PubChem CID106433683
Molecular FormulaC7H14F3NO3S2
Molecular Weight281.32 g/mol
Exact Mass281.04
IUPAC Name4-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]butane-1-sulfonamide
SMILESO=S(=O)(CCCCO)NCCSC(F)(F)F
InChIInChI=1S/C7H14F3NO3S2/c8-7(9,10)15-5-3-11-16(13,14)6-2-1-4-12/h11-12H,1-6H2
InChIKeyKLGAUDGJHLDBOZ-UHFFFAOYSA-N
XLogP0.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]butane-1-sulfonamide?
The IUPAC name of 4-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]butane-1-sulfonamide (CID 106433683) is 4-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for 4-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]butane-1-sulfonamide?
The canonical SMILES for 4-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]butane-1-sulfonamide is O=S(=O)(CCCCO)NCCSC(F)(F)F.
What is the InChIKey of 4-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]butane-1-sulfonamide?
The InChIKey is KLGAUDGJHLDBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO3S2/c8-7(9,10)15-5-3-11-16(13,14)6-2-1-4-12/h11-12H,1-6H2.
What are the key properties of 4-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]butane-1-sulfonamide?
4-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]butane-1-sulfonamide has a molecular weight of 281.32 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 106433683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).