N-(4-fluorophenyl)-2-propylsulfonylacetamide

C11H14FNO3S — CID 47207535

IUPACN-(4-fluorophenyl)-2-propylsulfonylacetamide
SMILESCCCS(=O)(=O)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H14FNO3S/c1-2-7-17(15,16)8-11(14)13-10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyCOTYJDILSJMZTQ-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.59
Rot. Bonds5

About N-(4-fluorophenyl)-2-propylsulfonylacetamide

N-(4-fluorophenyl)-2-propylsulfonylacetamide (PubChem CID 47207535) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-propylsulfonylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-propylsulfonylacetamide
PubChem CID47207535
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC NameN-(4-fluorophenyl)-2-propylsulfonylacetamide
SMILESCCCS(=O)(=O)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H14FNO3S/c1-2-7-17(15,16)8-11(14)13-10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyCOTYJDILSJMZTQ-UHFFFAOYSA-N
XLogP1.59
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-propylsulfonylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-propylsulfonylacetamide (CID 47207535) is N-(4-fluorophenyl)-2-propylsulfonylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-propylsulfonylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-propylsulfonylacetamide is CCCS(=O)(=O)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-propylsulfonylacetamide?
The InChIKey is COTYJDILSJMZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3S/c1-2-7-17(15,16)8-11(14)13-10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3,(H,13,14).
What are the key properties of N-(4-fluorophenyl)-2-propylsulfonylacetamide?
N-(4-fluorophenyl)-2-propylsulfonylacetamide has a molecular weight of 259.30 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-propylsulfonylacetamide is sourced from PubChem (CID 47207535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).