3-[bis(4-fluorophenyl)methylsulfinyl]propanamide

C16H15F2NO2S — CID 123444371

IUPAC3-[bis(4-fluorophenyl)methylsulfinyl]propanamide
SMILESNC(=O)CCS(=O)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H15F2NO2S/c17-13-5-1-11(2-6-13)16(22(21)10-9-15(19)20)12-3-7-14(18)8-4-12/h1-8,16H,9-10H2,(H2,19,20)
InChIKeyYOUCTWUBSFXKQL-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.68
Rot. Bonds6

About 3-[bis(4-fluorophenyl)methylsulfinyl]propanamide

3-[bis(4-fluorophenyl)methylsulfinyl]propanamide (PubChem CID 123444371) has the molecular formula C16H15F2NO2S and a molecular weight of 323.36 g/mol. Its IUPAC name is 3-[bis(4-fluorophenyl)methylsulfinyl]propanamide.

Molecular Properties

Compound Name3-[bis(4-fluorophenyl)methylsulfinyl]propanamide
PubChem CID123444371
Molecular FormulaC16H15F2NO2S
Molecular Weight323.36 g/mol
Exact Mass323.08
IUPAC Name3-[bis(4-fluorophenyl)methylsulfinyl]propanamide
SMILESNC(=O)CCS(=O)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H15F2NO2S/c17-13-5-1-11(2-6-13)16(22(21)10-9-15(19)20)12-3-7-14(18)8-4-12/h1-8,16H,9-10H2,(H2,19,20)
InChIKeyYOUCTWUBSFXKQL-UHFFFAOYSA-N
XLogP2.68
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(4-fluorophenyl)methylsulfinyl]propanamide?
The IUPAC name of 3-[bis(4-fluorophenyl)methylsulfinyl]propanamide (CID 123444371) is 3-[bis(4-fluorophenyl)methylsulfinyl]propanamide.
What is the SMILES notation for 3-[bis(4-fluorophenyl)methylsulfinyl]propanamide?
The canonical SMILES for 3-[bis(4-fluorophenyl)methylsulfinyl]propanamide is NC(=O)CCS(=O)C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 3-[bis(4-fluorophenyl)methylsulfinyl]propanamide?
The InChIKey is YOUCTWUBSFXKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2S/c17-13-5-1-11(2-6-13)16(22(21)10-9-15(19)20)12-3-7-14(18)8-4-12/h1-8,16H,9-10H2,(H2,19,20).
What are the key properties of 3-[bis(4-fluorophenyl)methylsulfinyl]propanamide?
3-[bis(4-fluorophenyl)methylsulfinyl]propanamide has a molecular weight of 323.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(4-fluorophenyl)methylsulfinyl]propanamide is sourced from PubChem (CID 123444371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).