2-[(1S)-1-(4-fluorophenyl)ethyl]sulfonylacetamide

C10H12FNO3S — CID 94091505

IUPAC2-[(1S)-1-(4-fluorophenyl)ethyl]sulfonylacetamide
SMILESC[C@@H](c1ccc(F)cc1)S(=O)(=O)CC(N)=O
InChIInChI=1S/C10H12FNO3S/c1-7(16(14,15)6-10(12)13)8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3,(H2,12,13)/t7-/m0/s1
InChIKeyXOKJJBMLMSGDGB-ZETCQYMHSA-N
MW245.27 g/mol
LogP0.79
Rot. Bonds4

About 2-[(1S)-1-(4-fluorophenyl)ethyl]sulfonylacetamide

2-[(1S)-1-(4-fluorophenyl)ethyl]sulfonylacetamide (PubChem CID 94091505) has the molecular formula C10H12FNO3S and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[(1S)-1-(4-fluorophenyl)ethyl]sulfonylacetamide.

Molecular Properties

Compound Name2-[(1S)-1-(4-fluorophenyl)ethyl]sulfonylacetamide
PubChem CID94091505
Molecular FormulaC10H12FNO3S
Molecular Weight245.27 g/mol
Exact Mass245.05
IUPAC Name2-[(1S)-1-(4-fluorophenyl)ethyl]sulfonylacetamide
SMILESC[C@@H](c1ccc(F)cc1)S(=O)(=O)CC(N)=O
InChIInChI=1S/C10H12FNO3S/c1-7(16(14,15)6-10(12)13)8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3,(H2,12,13)/t7-/m0/s1
InChIKeyXOKJJBMLMSGDGB-ZETCQYMHSA-N
XLogP0.79
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1S)-1-(4-fluorophenyl)ethyl]sulfonylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(4-fluorophenyl)ethyl]sulfonylacetamide?
The IUPAC name of 2-[(1S)-1-(4-fluorophenyl)ethyl]sulfonylacetamide (CID 94091505) is 2-[(1S)-1-(4-fluorophenyl)ethyl]sulfonylacetamide.
What is the SMILES notation for 2-[(1S)-1-(4-fluorophenyl)ethyl]sulfonylacetamide?
The canonical SMILES for 2-[(1S)-1-(4-fluorophenyl)ethyl]sulfonylacetamide is C[C@@H](c1ccc(F)cc1)S(=O)(=O)CC(N)=O.
What is the InChIKey of 2-[(1S)-1-(4-fluorophenyl)ethyl]sulfonylacetamide?
The InChIKey is XOKJJBMLMSGDGB-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12FNO3S/c1-7(16(14,15)6-10(12)13)8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3,(H2,12,13)/t7-/m0/s1.
What are the key properties of 2-[(1S)-1-(4-fluorophenyl)ethyl]sulfonylacetamide?
2-[(1S)-1-(4-fluorophenyl)ethyl]sulfonylacetamide has a molecular weight of 245.27 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(4-fluorophenyl)ethyl]sulfonylacetamide is sourced from PubChem (CID 94091505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).