3-(4-fluorophenyl)sulfonyl-N-hexa-2,4-dien-3-yl-2-hydroxy-2-methylpropanamide

C16H20FNO4S — CID 91173407

IUPAC3-(4-fluorophenyl)sulfonyl-N-hexa-2,4-dien-3-yl-2-hydroxy-2-methylpropanamide
SMILESCC=CC(=CC)NC(=O)C(C)(O)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H20FNO4S/c1-4-6-13(5-2)18-15(19)16(3,20)11-23(21,22)14-9-7-12(17)8-10-14/h4-10,20H,11H2,1-3H3,(H,18,19)
InChIKeyFXPWRSNHOJZCOA-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.95
Rot. Bonds6

About 3-(4-fluorophenyl)sulfonyl-N-hexa-2,4-dien-3-yl-2-hydroxy-2-methylpropanamide

3-(4-fluorophenyl)sulfonyl-N-hexa-2,4-dien-3-yl-2-hydroxy-2-methylpropanamide (PubChem CID 91173407) has the molecular formula C16H20FNO4S and a molecular weight of 341.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-N-hexa-2,4-dien-3-yl-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-N-hexa-2,4-dien-3-yl-2-hydroxy-2-methylpropanamide
PubChem CID91173407
Molecular FormulaC16H20FNO4S
Molecular Weight341.40 g/mol
Exact Mass341.11
IUPAC Name3-(4-fluorophenyl)sulfonyl-N-hexa-2,4-dien-3-yl-2-hydroxy-2-methylpropanamide
SMILESCC=CC(=CC)NC(=O)C(C)(O)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H20FNO4S/c1-4-6-13(5-2)18-15(19)16(3,20)11-23(21,22)14-9-7-12(17)8-10-14/h4-10,20H,11H2,1-3H3,(H,18,19)
InChIKeyFXPWRSNHOJZCOA-UHFFFAOYSA-N
XLogP1.95
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-N-hexa-2,4-dien-3-yl-2-hydroxy-2-methylpropanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-N-hexa-2,4-dien-3-yl-2-hydroxy-2-methylpropanamide (CID 91173407) is 3-(4-fluorophenyl)sulfonyl-N-hexa-2,4-dien-3-yl-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-N-hexa-2,4-dien-3-yl-2-hydroxy-2-methylpropanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-N-hexa-2,4-dien-3-yl-2-hydroxy-2-methylpropanamide is CC=CC(=CC)NC(=O)C(C)(O)CS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-N-hexa-2,4-dien-3-yl-2-hydroxy-2-methylpropanamide?
The InChIKey is FXPWRSNHOJZCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO4S/c1-4-6-13(5-2)18-15(19)16(3,20)11-23(21,22)14-9-7-12(17)8-10-14/h4-10,20H,11H2,1-3H3,(H,18,19).
What are the key properties of 3-(4-fluorophenyl)sulfonyl-N-hexa-2,4-dien-3-yl-2-hydroxy-2-methylpropanamide?
3-(4-fluorophenyl)sulfonyl-N-hexa-2,4-dien-3-yl-2-hydroxy-2-methylpropanamide has a molecular weight of 341.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-N-hexa-2,4-dien-3-yl-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 91173407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).