N-(3-fluoro-4-propanoylphenyl)methanesulfonamide;propane

C13H20FNO3S — CID 142910811

IUPACN-(3-fluoro-4-propanoylphenyl)methanesulfonamide;propane
SMILESCCC.CCC(=O)c1ccc(NS(C)(=O)=O)cc1F
InChIInChI=1S/C10H12FNO3S.C3H8/c1-3-10(13)8-5-4-7(6-9(8)11)12-16(2,14)15;1-3-2/h4-6,12H,3H2,1-2H3;3H2,1-2H3
InChIKeyGVFYPJMURKJRIE-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.21
Rot. Bonds4

About N-(3-fluoro-4-propanoylphenyl)methanesulfonamide;propane

N-(3-fluoro-4-propanoylphenyl)methanesulfonamide;propane (PubChem CID 142910811) has the molecular formula C13H20FNO3S and a molecular weight of 289.37 g/mol. Its IUPAC name is N-(3-fluoro-4-propanoylphenyl)methanesulfonamide;propane.

Molecular Properties

Compound NameN-(3-fluoro-4-propanoylphenyl)methanesulfonamide;propane
PubChem CID142910811
Molecular FormulaC13H20FNO3S
Molecular Weight289.37 g/mol
Exact Mass289.11
IUPAC NameN-(3-fluoro-4-propanoylphenyl)methanesulfonamide;propane
SMILESCCC.CCC(=O)c1ccc(NS(C)(=O)=O)cc1F
InChIInChI=1S/C10H12FNO3S.C3H8/c1-3-10(13)8-5-4-7(6-9(8)11)12-16(2,14)15;1-3-2/h4-6,12H,3H2,1-2H3;3H2,1-2H3
InChIKeyGVFYPJMURKJRIE-UHFFFAOYSA-N
XLogP3.21
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-propanoylphenyl)methanesulfonamide;propane?
The IUPAC name of N-(3-fluoro-4-propanoylphenyl)methanesulfonamide;propane (CID 142910811) is N-(3-fluoro-4-propanoylphenyl)methanesulfonamide;propane.
What is the SMILES notation for N-(3-fluoro-4-propanoylphenyl)methanesulfonamide;propane?
The canonical SMILES for N-(3-fluoro-4-propanoylphenyl)methanesulfonamide;propane is CCC.CCC(=O)c1ccc(NS(C)(=O)=O)cc1F.
What is the InChIKey of N-(3-fluoro-4-propanoylphenyl)methanesulfonamide;propane?
The InChIKey is GVFYPJMURKJRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3S.C3H8/c1-3-10(13)8-5-4-7(6-9(8)11)12-16(2,14)15;1-3-2/h4-6,12H,3H2,1-2H3;3H2,1-2H3.
What are the key properties of N-(3-fluoro-4-propanoylphenyl)methanesulfonamide;propane?
N-(3-fluoro-4-propanoylphenyl)methanesulfonamide;propane has a molecular weight of 289.37 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-propanoylphenyl)methanesulfonamide;propane is sourced from PubChem (CID 142910811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).