2-(4-fluorophenyl)sulfonyl-N-methylacetamide

C9H10FNO3S — CID 47217433

IUPAC2-(4-fluorophenyl)sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO3S/c1-11-9(12)6-15(13,14)8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,11,12)
InChIKeyHCWYHEXYOQVVOK-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.35
Rot. Bonds3

About 2-(4-fluorophenyl)sulfonyl-N-methylacetamide

2-(4-fluorophenyl)sulfonyl-N-methylacetamide (PubChem CID 47217433) has the molecular formula C9H10FNO3S and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-methylacetamide
PubChem CID47217433
Molecular FormulaC9H10FNO3S
Molecular Weight231.25 g/mol
Exact Mass231.04
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO3S/c1-11-9(12)6-15(13,14)8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,11,12)
InChIKeyHCWYHEXYOQVVOK-UHFFFAOYSA-N
XLogP0.35
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)sulfonyl-N-methylacetamide 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-(4-fluorophenyl)sulfonyl-N-methylacetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-methylacetamide (CID 47217433) is 2-(4-fluorophenyl)sulfonyl-N-methylacetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-methylacetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-methylacetamide is CNC(=O)CS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-methylacetamide?
The InChIKey is HCWYHEXYOQVVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3S/c1-11-9(12)6-15(13,14)8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,11,12).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-methylacetamide?
2-(4-fluorophenyl)sulfonyl-N-methylacetamide has a molecular weight of 231.25 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-methylacetamide is sourced from PubChem (CID 47217433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).