N-(3-chloro-4-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide

C13H10ClFN2OS — CID 592409

IUPACN-(3-chloro-4-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H10ClFN2OS/c14-10-7-9(4-5-11(10)15)17-12(18)8-19-13-3-1-2-6-16-13/h1-7H,8H2,(H,17,18)
InChIKeyYEOVZBUCLVYYJL-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.60
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide

N-(3-chloro-4-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 592409) has the molecular formula C13H10ClFN2OS and a molecular weight of 296.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID592409
Molecular FormulaC13H10ClFN2OS
Molecular Weight296.75 g/mol
Exact Mass296.02
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H10ClFN2OS/c14-10-7-9(4-5-11(10)15)17-12(18)8-19-13-3-1-2-6-16-13/h1-7H,8H2,(H,17,18)
InChIKeyYEOVZBUCLVYYJL-UHFFFAOYSA-N
XLogP3.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide (CID 592409) is N-(3-chloro-4-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is YEOVZBUCLVYYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2OS/c14-10-7-9(4-5-11(10)15)17-12(18)8-19-13-3-1-2-6-16-13/h1-7H,8H2,(H,17,18).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide?
N-(3-chloro-4-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 296.75 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 592409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).