N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylpropanamide

C15H13ClF2N2O2S — CID 42973016

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccccn1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C15H13ClF2N2O2S/c1-9(23-13-4-2-3-7-19-13)14(21)20-10-5-6-12(11(16)8-10)22-15(17)18/h2-9,15H,1H3,(H,20,21)
InChIKeyLYSYRXLVWGOZPA-UHFFFAOYSA-N
MW358.80 g/mol
LogP4.46
Rot. Bonds6

About N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylpropanamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 42973016) has the molecular formula C15H13ClF2N2O2S and a molecular weight of 358.80 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylpropanamide
PubChem CID42973016
Molecular FormulaC15H13ClF2N2O2S
Molecular Weight358.80 g/mol
Exact Mass358.04
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccccn1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C15H13ClF2N2O2S/c1-9(23-13-4-2-3-7-19-13)14(21)20-10-5-6-12(11(16)8-10)22-15(17)18/h2-9,15H,1H3,(H,20,21)
InChIKeyLYSYRXLVWGOZPA-UHFFFAOYSA-N
XLogP4.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylpropanamide (CID 42973016) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylpropanamide is CC(Sc1ccccn1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is LYSYRXLVWGOZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O2S/c1-9(23-13-4-2-3-7-19-13)14(21)20-10-5-6-12(11(16)8-10)22-15(17)18/h2-9,15H,1H3,(H,20,21).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylpropanamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 358.80 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 42973016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).