N-[2-(4-chlorophenyl)sulfanylethyl]-2,2-difluoro-2-pyridin-2-ylacetamide

C15H13ClF2N2OS — CID 71846276

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-2,2-difluoro-2-pyridin-2-ylacetamide
SMILESO=C(NCCSc1ccc(Cl)cc1)C(F)(F)c1ccccn1
InChIInChI=1S/C15H13ClF2N2OS/c16-11-4-6-12(7-5-11)22-10-9-20-14(21)15(17,18)13-3-1-2-8-19-13/h1-8H,9-10H2,(H,20,21)
InChIKeySXCYSRYJLJIWNE-UHFFFAOYSA-N
MW342.80 g/mol
LogP3.74
Rot. Bonds6

About N-[2-(4-chlorophenyl)sulfanylethyl]-2,2-difluoro-2-pyridin-2-ylacetamide

N-[2-(4-chlorophenyl)sulfanylethyl]-2,2-difluoro-2-pyridin-2-ylacetamide (PubChem CID 71846276) has the molecular formula C15H13ClF2N2OS and a molecular weight of 342.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-2,2-difluoro-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-2,2-difluoro-2-pyridin-2-ylacetamide
PubChem CID71846276
Molecular FormulaC15H13ClF2N2OS
Molecular Weight342.80 g/mol
Exact Mass342.04
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-2,2-difluoro-2-pyridin-2-ylacetamide
SMILESO=C(NCCSc1ccc(Cl)cc1)C(F)(F)c1ccccn1
InChIInChI=1S/C15H13ClF2N2OS/c16-11-4-6-12(7-5-11)22-10-9-20-14(21)15(17,18)13-3-1-2-8-19-13/h1-8H,9-10H2,(H,20,21)
InChIKeySXCYSRYJLJIWNE-UHFFFAOYSA-N
XLogP3.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2,2-difluoro-2-pyridin-2-ylacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2,2-difluoro-2-pyridin-2-ylacetamide (CID 71846276) is N-[2-(4-chlorophenyl)sulfanylethyl]-2,2-difluoro-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-2,2-difluoro-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-2,2-difluoro-2-pyridin-2-ylacetamide is O=C(NCCSc1ccc(Cl)cc1)C(F)(F)c1ccccn1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-2,2-difluoro-2-pyridin-2-ylacetamide?
The InChIKey is SXCYSRYJLJIWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2OS/c16-11-4-6-12(7-5-11)22-10-9-20-14(21)15(17,18)13-3-1-2-8-19-13/h1-8H,9-10H2,(H,20,21).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-2,2-difluoro-2-pyridin-2-ylacetamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-2,2-difluoro-2-pyridin-2-ylacetamide has a molecular weight of 342.80 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-2,2-difluoro-2-pyridin-2-ylacetamide is sourced from PubChem (CID 71846276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).