2-[2-(2-fluorophenoxy)phenyl]-N-methylsulfonylacetamide

C15H14FNO4S — CID 45269893

IUPAC2-[2-(2-fluorophenoxy)phenyl]-N-methylsulfonylacetamide
SMILESCS(=O)(=O)NC(=O)Cc1ccccc1Oc1ccccc1F
InChIInChI=1S/C15H14FNO4S/c1-22(19,20)17-15(18)10-11-6-2-4-8-13(11)21-14-9-5-3-7-12(14)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeySGDMCGKLCOGZJM-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.24
Rot. Bonds5

About 2-[2-(2-fluorophenoxy)phenyl]-N-methylsulfonylacetamide

2-[2-(2-fluorophenoxy)phenyl]-N-methylsulfonylacetamide (PubChem CID 45269893) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[2-(2-fluorophenoxy)phenyl]-N-methylsulfonylacetamide.

Molecular Properties

Compound Name2-[2-(2-fluorophenoxy)phenyl]-N-methylsulfonylacetamide
PubChem CID45269893
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC Name2-[2-(2-fluorophenoxy)phenyl]-N-methylsulfonylacetamide
SMILESCS(=O)(=O)NC(=O)Cc1ccccc1Oc1ccccc1F
InChIInChI=1S/C15H14FNO4S/c1-22(19,20)17-15(18)10-11-6-2-4-8-13(11)21-14-9-5-3-7-12(14)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeySGDMCGKLCOGZJM-UHFFFAOYSA-N
XLogP2.24
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenoxy)phenyl]-N-methylsulfonylacetamide?
The IUPAC name of 2-[2-(2-fluorophenoxy)phenyl]-N-methylsulfonylacetamide (CID 45269893) is 2-[2-(2-fluorophenoxy)phenyl]-N-methylsulfonylacetamide.
What is the SMILES notation for 2-[2-(2-fluorophenoxy)phenyl]-N-methylsulfonylacetamide?
The canonical SMILES for 2-[2-(2-fluorophenoxy)phenyl]-N-methylsulfonylacetamide is CS(=O)(=O)NC(=O)Cc1ccccc1Oc1ccccc1F.
What is the InChIKey of 2-[2-(2-fluorophenoxy)phenyl]-N-methylsulfonylacetamide?
The InChIKey is SGDMCGKLCOGZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-22(19,20)17-15(18)10-11-6-2-4-8-13(11)21-14-9-5-3-7-12(14)16/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-[2-(2-fluorophenoxy)phenyl]-N-methylsulfonylacetamide?
2-[2-(2-fluorophenoxy)phenyl]-N-methylsulfonylacetamide has a molecular weight of 323.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenoxy)phenyl]-N-methylsulfonylacetamide is sourced from PubChem (CID 45269893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).