N-(3-acetylphenyl)-2-(4-fluorophenoxy)ethanesulfonamide

C16H16FNO4S — CID 56687240

IUPACN-(3-acetylphenyl)-2-(4-fluorophenoxy)ethanesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)CCOc2ccc(F)cc2)c1
InChIInChI=1S/C16H16FNO4S/c1-12(19)13-3-2-4-15(11-13)18-23(20,21)10-9-22-16-7-5-14(17)6-8-16/h2-8,11,18H,9-10H2,1H3
InChIKeyHUSIHXHCEJZERG-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.85
Rot. Bonds7

About N-(3-acetylphenyl)-2-(4-fluorophenoxy)ethanesulfonamide

N-(3-acetylphenyl)-2-(4-fluorophenoxy)ethanesulfonamide (PubChem CID 56687240) has the molecular formula C16H16FNO4S and a molecular weight of 337.37 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(4-fluorophenoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(4-fluorophenoxy)ethanesulfonamide
PubChem CID56687240
Molecular FormulaC16H16FNO4S
Molecular Weight337.37 g/mol
Exact Mass337.08
IUPAC NameN-(3-acetylphenyl)-2-(4-fluorophenoxy)ethanesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)CCOc2ccc(F)cc2)c1
InChIInChI=1S/C16H16FNO4S/c1-12(19)13-3-2-4-15(11-13)18-23(20,21)10-9-22-16-7-5-14(17)6-8-16/h2-8,11,18H,9-10H2,1H3
InChIKeyHUSIHXHCEJZERG-UHFFFAOYSA-N
XLogP2.85
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(4-fluorophenoxy)ethanesulfonamide?
The IUPAC name of N-(3-acetylphenyl)-2-(4-fluorophenoxy)ethanesulfonamide (CID 56687240) is N-(3-acetylphenyl)-2-(4-fluorophenoxy)ethanesulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(4-fluorophenoxy)ethanesulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(4-fluorophenoxy)ethanesulfonamide is CC(=O)c1cccc(NS(=O)(=O)CCOc2ccc(F)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(4-fluorophenoxy)ethanesulfonamide?
The InChIKey is HUSIHXHCEJZERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4S/c1-12(19)13-3-2-4-15(11-13)18-23(20,21)10-9-22-16-7-5-14(17)6-8-16/h2-8,11,18H,9-10H2,1H3.
What are the key properties of N-(3-acetylphenyl)-2-(4-fluorophenoxy)ethanesulfonamide?
N-(3-acetylphenyl)-2-(4-fluorophenoxy)ethanesulfonamide has a molecular weight of 337.37 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(4-fluorophenoxy)ethanesulfonamide is sourced from PubChem (CID 56687240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).