2-ethylsulfonyl-2-(4-fluorophenyl)-2-phenylacetamide

C16H16FNO3S — CID 26614

IUPAC2-ethylsulfonyl-2-(4-fluorophenyl)-2-phenylacetamide
SMILESCCS(=O)(=O)C(C(N)=O)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO3S/c1-2-22(20,21)16(15(18)19,12-6-4-3-5-7-12)13-8-10-14(17)11-9-13/h3-11H,2H2,1H3,(H2,18,19)
InChIKeyMDLYQTVVLFOMFG-UHFFFAOYSA-N
MW321.37 g/mol
LogP1.99
Rot. Bonds5

About 2-ethylsulfonyl-2-(4-fluorophenyl)-2-phenylacetamide

2-ethylsulfonyl-2-(4-fluorophenyl)-2-phenylacetamide (PubChem CID 26614) has the molecular formula C16H16FNO3S and a molecular weight of 321.37 g/mol. Its IUPAC name is 2-ethylsulfonyl-2-(4-fluorophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-ethylsulfonyl-2-(4-fluorophenyl)-2-phenylacetamide
PubChem CID26614
Molecular FormulaC16H16FNO3S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC Name2-ethylsulfonyl-2-(4-fluorophenyl)-2-phenylacetamide
SMILESCCS(=O)(=O)C(C(N)=O)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO3S/c1-2-22(20,21)16(15(18)19,12-6-4-3-5-7-12)13-8-10-14(17)11-9-13/h3-11H,2H2,1H3,(H2,18,19)
InChIKeyMDLYQTVVLFOMFG-UHFFFAOYSA-N
XLogP1.99
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-2-(4-fluorophenyl)-2-phenylacetamide?
The IUPAC name of 2-ethylsulfonyl-2-(4-fluorophenyl)-2-phenylacetamide (CID 26614) is 2-ethylsulfonyl-2-(4-fluorophenyl)-2-phenylacetamide.
What is the SMILES notation for 2-ethylsulfonyl-2-(4-fluorophenyl)-2-phenylacetamide?
The canonical SMILES for 2-ethylsulfonyl-2-(4-fluorophenyl)-2-phenylacetamide is CCS(=O)(=O)C(C(N)=O)(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-ethylsulfonyl-2-(4-fluorophenyl)-2-phenylacetamide?
The InChIKey is MDLYQTVVLFOMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S/c1-2-22(20,21)16(15(18)19,12-6-4-3-5-7-12)13-8-10-14(17)11-9-13/h3-11H,2H2,1H3,(H2,18,19).
What are the key properties of 2-ethylsulfonyl-2-(4-fluorophenyl)-2-phenylacetamide?
2-ethylsulfonyl-2-(4-fluorophenyl)-2-phenylacetamide has a molecular weight of 321.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-2-(4-fluorophenyl)-2-phenylacetamide is sourced from PubChem (CID 26614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).