N-[2-(2-fluorophenyl)sulfonylethyl]-2,2,4-trimethylpentanamide

C16H24FNO3S — CID 71974078

IUPACN-[2-(2-fluorophenyl)sulfonylethyl]-2,2,4-trimethylpentanamide
SMILESCC(C)CC(C)(C)C(=O)NCCS(=O)(=O)c1ccccc1F
InChIInChI=1S/C16H24FNO3S/c1-12(2)11-16(3,4)15(19)18-9-10-22(20,21)14-8-6-5-7-13(14)17/h5-8,12H,9-11H2,1-4H3,(H,18,19)
InChIKeyRTTGBKFNDDAULW-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.79
Rot. Bonds7

About N-[2-(2-fluorophenyl)sulfonylethyl]-2,2,4-trimethylpentanamide

N-[2-(2-fluorophenyl)sulfonylethyl]-2,2,4-trimethylpentanamide (PubChem CID 71974078) has the molecular formula C16H24FNO3S and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)sulfonylethyl]-2,2,4-trimethylpentanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)sulfonylethyl]-2,2,4-trimethylpentanamide
PubChem CID71974078
Molecular FormulaC16H24FNO3S
Molecular Weight329.44 g/mol
Exact Mass329.15
IUPAC NameN-[2-(2-fluorophenyl)sulfonylethyl]-2,2,4-trimethylpentanamide
SMILESCC(C)CC(C)(C)C(=O)NCCS(=O)(=O)c1ccccc1F
InChIInChI=1S/C16H24FNO3S/c1-12(2)11-16(3,4)15(19)18-9-10-22(20,21)14-8-6-5-7-13(14)17/h5-8,12H,9-11H2,1-4H3,(H,18,19)
InChIKeyRTTGBKFNDDAULW-UHFFFAOYSA-N
XLogP2.79
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)sulfonylethyl]-2,2,4-trimethylpentanamide?
The IUPAC name of N-[2-(2-fluorophenyl)sulfonylethyl]-2,2,4-trimethylpentanamide (CID 71974078) is N-[2-(2-fluorophenyl)sulfonylethyl]-2,2,4-trimethylpentanamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)sulfonylethyl]-2,2,4-trimethylpentanamide?
The canonical SMILES for N-[2-(2-fluorophenyl)sulfonylethyl]-2,2,4-trimethylpentanamide is CC(C)CC(C)(C)C(=O)NCCS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)sulfonylethyl]-2,2,4-trimethylpentanamide?
The InChIKey is RTTGBKFNDDAULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3S/c1-12(2)11-16(3,4)15(19)18-9-10-22(20,21)14-8-6-5-7-13(14)17/h5-8,12H,9-11H2,1-4H3,(H,18,19).
What are the key properties of N-[2-(2-fluorophenyl)sulfonylethyl]-2,2,4-trimethylpentanamide?
N-[2-(2-fluorophenyl)sulfonylethyl]-2,2,4-trimethylpentanamide has a molecular weight of 329.44 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)sulfonylethyl]-2,2,4-trimethylpentanamide is sourced from PubChem (CID 71974078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).