2-[bis(3-fluorophenyl)methylsulfinyl]acetamide

C15H13F2NO2S — CID 14054412

IUPAC2-[bis(3-fluorophenyl)methylsulfinyl]acetamide
SMILESNC(=O)CS(=O)C(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C15H13F2NO2S/c16-12-5-1-3-10(7-12)15(21(20)9-14(18)19)11-4-2-6-13(17)8-11/h1-8,15H,9H2,(H2,18,19)
InChIKeyNNHUOBDLUAOWEA-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.29
Rot. Bonds5

About 2-[bis(3-fluorophenyl)methylsulfinyl]acetamide

2-[bis(3-fluorophenyl)methylsulfinyl]acetamide (PubChem CID 14054412) has the molecular formula C15H13F2NO2S and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-[bis(3-fluorophenyl)methylsulfinyl]acetamide.

Molecular Properties

Compound Name2-[bis(3-fluorophenyl)methylsulfinyl]acetamide
PubChem CID14054412
Molecular FormulaC15H13F2NO2S
Molecular Weight309.34 g/mol
Exact Mass309.06
IUPAC Name2-[bis(3-fluorophenyl)methylsulfinyl]acetamide
SMILESNC(=O)CS(=O)C(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C15H13F2NO2S/c16-12-5-1-3-10(7-12)15(21(20)9-14(18)19)11-4-2-6-13(17)8-11/h1-8,15H,9H2,(H2,18,19)
InChIKeyNNHUOBDLUAOWEA-UHFFFAOYSA-N
XLogP2.29
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(3-fluorophenyl)methylsulfinyl]acetamide?
The IUPAC name of 2-[bis(3-fluorophenyl)methylsulfinyl]acetamide (CID 14054412) is 2-[bis(3-fluorophenyl)methylsulfinyl]acetamide.
What is the SMILES notation for 2-[bis(3-fluorophenyl)methylsulfinyl]acetamide?
The canonical SMILES for 2-[bis(3-fluorophenyl)methylsulfinyl]acetamide is NC(=O)CS(=O)C(c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of 2-[bis(3-fluorophenyl)methylsulfinyl]acetamide?
The InChIKey is NNHUOBDLUAOWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2S/c16-12-5-1-3-10(7-12)15(21(20)9-14(18)19)11-4-2-6-13(17)8-11/h1-8,15H,9H2,(H2,18,19).
What are the key properties of 2-[bis(3-fluorophenyl)methylsulfinyl]acetamide?
2-[bis(3-fluorophenyl)methylsulfinyl]acetamide has a molecular weight of 309.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(3-fluorophenyl)methylsulfinyl]acetamide is sourced from PubChem (CID 14054412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).