N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

C15H10F5NOS — CID 2824717

IUPACN-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESO=C(CSc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H10F5NOS/c16-10-4-5-13(12(17)7-10)21-14(22)8-23-11-3-1-2-9(6-11)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyJVCWJINNUHFQTR-UHFFFAOYSA-N
MW347.31 g/mol
LogP4.71
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 2824717) has the molecular formula C15H10F5NOS and a molecular weight of 347.31 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID2824717
Molecular FormulaC15H10F5NOS
Molecular Weight347.31 g/mol
Exact Mass347.04
IUPAC NameN-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESO=C(CSc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H10F5NOS/c16-10-4-5-13(12(17)7-10)21-14(22)8-23-11-3-1-2-9(6-11)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyJVCWJINNUHFQTR-UHFFFAOYSA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (CID 2824717) is N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is O=C(CSc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is JVCWJINNUHFQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5NOS/c16-10-4-5-13(12(17)7-10)21-14(22)8-23-11-3-1-2-9(6-11)15(18,19)20/h1-7H,8H2,(H,21,22).
What are the key properties of N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 347.31 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 2824717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).