2-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylacetamide

C15H14FNO3S — CID 22002532

IUPAC2-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)C(C(N)=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FNO3S/c1-10-2-8-13(9-3-10)21(19,20)14(15(17)18)11-4-6-12(16)7-5-11/h2-9,14H,1H3,(H2,17,18)
InChIKeyZXJYFYFEMDLOHN-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.13
Rot. Bonds4

About 2-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylacetamide

2-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylacetamide (PubChem CID 22002532) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylacetamide
PubChem CID22002532
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Name2-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)C(C(N)=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FNO3S/c1-10-2-8-13(9-3-10)21(19,20)14(15(17)18)11-4-6-12(16)7-5-11/h2-9,14H,1H3,(H2,17,18)
InChIKeyZXJYFYFEMDLOHN-UHFFFAOYSA-N
XLogP2.13
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of 2-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylacetamide (CID 22002532) is 2-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylacetamide is Cc1ccc(S(=O)(=O)C(C(N)=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylacetamide?
The InChIKey is ZXJYFYFEMDLOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c1-10-2-8-13(9-3-10)21(19,20)14(15(17)18)11-4-6-12(16)7-5-11/h2-9,14H,1H3,(H2,17,18).
What are the key properties of 2-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylacetamide?
2-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylacetamide has a molecular weight of 307.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 22002532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).