N-[(E)-2-(4-acetylphenyl)-2-fluoroethenyl]methanesulfonamide

C11H12FNO3S — CID 154710712

IUPACN-[(E)-2-(4-acetylphenyl)-2-fluoroethenyl]methanesulfonamide
SMILESCC(=O)c1ccc(/C(F)=C\NS(C)(=O)=O)cc1
InChIInChI=1S/C11H12FNO3S/c1-8(14)9-3-5-10(6-4-9)11(12)7-13-17(2,15)16/h3-7,13H,1-2H3/b11-7+
InChIKeyMXTSQEZQKBLONH-YRNVUSSQSA-N
MW257.29 g/mol
LogP1.71
Rot. Bonds4

About N-[(E)-2-(4-acetylphenyl)-2-fluoroethenyl]methanesulfonamide

N-[(E)-2-(4-acetylphenyl)-2-fluoroethenyl]methanesulfonamide (PubChem CID 154710712) has the molecular formula C11H12FNO3S and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[(E)-2-(4-acetylphenyl)-2-fluoroethenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(E)-2-(4-acetylphenyl)-2-fluoroethenyl]methanesulfonamide
PubChem CID154710712
Molecular FormulaC11H12FNO3S
Molecular Weight257.29 g/mol
Exact Mass257.05
IUPAC NameN-[(E)-2-(4-acetylphenyl)-2-fluoroethenyl]methanesulfonamide
SMILESCC(=O)c1ccc(/C(F)=C\NS(C)(=O)=O)cc1
InChIInChI=1S/C11H12FNO3S/c1-8(14)9-3-5-10(6-4-9)11(12)7-13-17(2,15)16/h3-7,13H,1-2H3/b11-7+
InChIKeyMXTSQEZQKBLONH-YRNVUSSQSA-N
XLogP1.71
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(4-acetylphenyl)-2-fluoroethenyl]methanesulfonamide?
The IUPAC name of N-[(E)-2-(4-acetylphenyl)-2-fluoroethenyl]methanesulfonamide (CID 154710712) is N-[(E)-2-(4-acetylphenyl)-2-fluoroethenyl]methanesulfonamide.
What is the SMILES notation for N-[(E)-2-(4-acetylphenyl)-2-fluoroethenyl]methanesulfonamide?
The canonical SMILES for N-[(E)-2-(4-acetylphenyl)-2-fluoroethenyl]methanesulfonamide is CC(=O)c1ccc(/C(F)=C\NS(C)(=O)=O)cc1.
What is the InChIKey of N-[(E)-2-(4-acetylphenyl)-2-fluoroethenyl]methanesulfonamide?
The InChIKey is MXTSQEZQKBLONH-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H12FNO3S/c1-8(14)9-3-5-10(6-4-9)11(12)7-13-17(2,15)16/h3-7,13H,1-2H3/b11-7+.
What are the key properties of N-[(E)-2-(4-acetylphenyl)-2-fluoroethenyl]methanesulfonamide?
N-[(E)-2-(4-acetylphenyl)-2-fluoroethenyl]methanesulfonamide has a molecular weight of 257.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(4-acetylphenyl)-2-fluoroethenyl]methanesulfonamide is sourced from PubChem (CID 154710712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).