4-(4-fluorophenyl)sulfonyl-N-hex-1-en-3-yl-2-hydroxy-2-methylbutanamide

C17H24FNO4S — CID 123548416

IUPAC4-(4-fluorophenyl)sulfonyl-N-hex-1-en-3-yl-2-hydroxy-2-methylbutanamide
SMILESC=CC(CCC)NC(=O)C(C)(O)CCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H24FNO4S/c1-4-6-14(5-2)19-16(20)17(3,21)11-12-24(22,23)15-9-7-13(18)8-10-15/h5,7-10,14,21H,2,4,6,11-12H2,1,3H3,(H,19,20)
InChIKeyFWDJEYNJCOOIFO-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.21
Rot. Bonds9

About 4-(4-fluorophenyl)sulfonyl-N-hex-1-en-3-yl-2-hydroxy-2-methylbutanamide

4-(4-fluorophenyl)sulfonyl-N-hex-1-en-3-yl-2-hydroxy-2-methylbutanamide (PubChem CID 123548416) has the molecular formula C17H24FNO4S and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-N-hex-1-en-3-yl-2-hydroxy-2-methylbutanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-N-hex-1-en-3-yl-2-hydroxy-2-methylbutanamide
PubChem CID123548416
Molecular FormulaC17H24FNO4S
Molecular Weight357.45 g/mol
Exact Mass357.14
IUPAC Name4-(4-fluorophenyl)sulfonyl-N-hex-1-en-3-yl-2-hydroxy-2-methylbutanamide
SMILESC=CC(CCC)NC(=O)C(C)(O)CCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H24FNO4S/c1-4-6-14(5-2)19-16(20)17(3,21)11-12-24(22,23)15-9-7-13(18)8-10-15/h5,7-10,14,21H,2,4,6,11-12H2,1,3H3,(H,19,20)
InChIKeyFWDJEYNJCOOIFO-UHFFFAOYSA-N
XLogP2.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-N-hex-1-en-3-yl-2-hydroxy-2-methylbutanamide?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-N-hex-1-en-3-yl-2-hydroxy-2-methylbutanamide (CID 123548416) is 4-(4-fluorophenyl)sulfonyl-N-hex-1-en-3-yl-2-hydroxy-2-methylbutanamide.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-N-hex-1-en-3-yl-2-hydroxy-2-methylbutanamide?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-N-hex-1-en-3-yl-2-hydroxy-2-methylbutanamide is C=CC(CCC)NC(=O)C(C)(O)CCS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-N-hex-1-en-3-yl-2-hydroxy-2-methylbutanamide?
The InChIKey is FWDJEYNJCOOIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO4S/c1-4-6-14(5-2)19-16(20)17(3,21)11-12-24(22,23)15-9-7-13(18)8-10-15/h5,7-10,14,21H,2,4,6,11-12H2,1,3H3,(H,19,20).
What are the key properties of 4-(4-fluorophenyl)sulfonyl-N-hex-1-en-3-yl-2-hydroxy-2-methylbutanamide?
4-(4-fluorophenyl)sulfonyl-N-hex-1-en-3-yl-2-hydroxy-2-methylbutanamide has a molecular weight of 357.45 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-N-hex-1-en-3-yl-2-hydroxy-2-methylbutanamide is sourced from PubChem (CID 123548416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).