(E)-N-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide

C16H14FNO4S — CID 56664942

IUPAC(E)-N-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H14FNO4S/c1-22-14-7-2-12(3-8-14)4-11-16(19)18-23(20,21)15-9-5-13(17)6-10-15/h2-11H,1H3,(H,18,19)/b11-4+
InChIKeyWJILKWAZVJPQKN-NYYWCZLTSA-N
MW335.36 g/mol
LogP2.35
Rot. Bonds5

About (E)-N-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 56664942) has the molecular formula C16H14FNO4S and a molecular weight of 335.36 g/mol. Its IUPAC name is (E)-N-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID56664942
Molecular FormulaC16H14FNO4S
Molecular Weight335.36 g/mol
Exact Mass335.06
IUPAC Name(E)-N-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H14FNO4S/c1-22-14-7-2-12(3-8-14)4-11-16(19)18-23(20,21)15-9-5-13(17)6-10-15/h2-11H,1H3,(H,18,19)/b11-4+
InChIKeyWJILKWAZVJPQKN-NYYWCZLTSA-N
XLogP2.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide (CID 56664942) is (E)-N-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of (E)-N-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is WJILKWAZVJPQKN-NYYWCZLTSA-N. The full InChI is InChI=1S/C16H14FNO4S/c1-22-14-7-2-12(3-8-14)4-11-16(19)18-23(20,21)15-9-5-13(17)6-10-15/h2-11H,1H3,(H,18,19)/b11-4+.
What are the key properties of (E)-N-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 335.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 56664942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).