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

C8H16F3NO4S — CID 83059095

IUPAC4,4,4-trifluoro-N-(2-hydroxy-3-methoxypropyl)butane-1-sulfonamide
SMILESCOCC(O)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO4S/c1-16-6-7(13)5-12-17(14,15)4-2-3-8(9,10)11/h7,12-13H,2-6H2,1H3
InChIKeyLKBNLGHVIRUNDO-UHFFFAOYSA-N
MW279.28 g/mol
LogP0.26
Rot. Bonds8

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

4,4,4-trifluoro-N-(2-hydroxy-3-methoxypropyl)butane-1-sulfonamide (PubChem CID 83059095) has the molecular formula C8H16F3NO4S and a molecular weight of 279.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2-hydroxy-3-methoxypropyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-hydroxy-3-methoxypropyl)butane-1-sulfonamide
PubChem CID83059095
Molecular FormulaC8H16F3NO4S
Molecular Weight279.28 g/mol
Exact Mass279.08
IUPAC Name4,4,4-trifluoro-N-(2-hydroxy-3-methoxypropyl)butane-1-sulfonamide
SMILESCOCC(O)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO4S/c1-16-6-7(13)5-12-17(14,15)4-2-3-8(9,10)11/h7,12-13H,2-6H2,1H3
InChIKeyLKBNLGHVIRUNDO-UHFFFAOYSA-N
XLogP0.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(2-hydroxy-3-methoxypropyl)butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-(2-hydroxy-3-methoxypropyl)butane-1-sulfonamide (CID 83059095) is 4,4,4-trifluoro-N-(2-hydroxy-3-methoxypropyl)butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-hydroxy-3-methoxypropyl)butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-(2-hydroxy-3-methoxypropyl)butane-1-sulfonamide is COCC(O)CNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(2-hydroxy-3-methoxypropyl)butane-1-sulfonamide?
The InChIKey is LKBNLGHVIRUNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO4S/c1-16-6-7(13)5-12-17(14,15)4-2-3-8(9,10)11/h7,12-13H,2-6H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-(2-hydroxy-3-methoxypropyl)butane-1-sulfonamide?
4,4,4-trifluoro-N-(2-hydroxy-3-methoxypropyl)butane-1-sulfonamide has a molecular weight of 279.28 g/mol, XLogP of 0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(2-hydroxy-3-methoxypropyl)butane-1-sulfonamide is sourced from PubChem (CID 83059095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).