N-(5-bromo-2-pyridinyl)-4-(difluoromethylsulfanyl)benzamide

C13H9BrF2N2OS — CID 55504518

IUPACN-(5-bromo-2-pyridinyl)-4-(difluoromethylsulfanyl)benzamide
SMILESO=C(Nc1ccc(Br)cn1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C13H9BrF2N2OS/c14-9-3-6-11(17-7-9)18-12(19)8-1-4-10(5-2-8)20-13(15)16/h1-7,13H,(H,17,18,19)
InChIKeyJETFIWIJJIOQDP-UHFFFAOYSA-N
MW359.20 g/mol
LogP4.41
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-4-(difluoromethylsulfanyl)benzamide

N-(5-bromo-2-pyridinyl)-4-(difluoromethylsulfanyl)benzamide (PubChem CID 55504518) has the molecular formula C13H9BrF2N2OS and a molecular weight of 359.20 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-(difluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-(difluoromethylsulfanyl)benzamide
PubChem CID55504518
Molecular FormulaC13H9BrF2N2OS
Molecular Weight359.20 g/mol
Exact Mass357.96
IUPAC NameN-(5-bromo-2-pyridinyl)-4-(difluoromethylsulfanyl)benzamide
SMILESO=C(Nc1ccc(Br)cn1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C13H9BrF2N2OS/c14-9-3-6-11(17-7-9)18-12(19)8-1-4-10(5-2-8)20-13(15)16/h1-7,13H,(H,17,18,19)
InChIKeyJETFIWIJJIOQDP-UHFFFAOYSA-N
XLogP4.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.20
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-(difluoromethylsulfanyl)benzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-(difluoromethylsulfanyl)benzamide (CID 55504518) is N-(5-bromo-2-pyridinyl)-4-(difluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-(difluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-(difluoromethylsulfanyl)benzamide is O=C(Nc1ccc(Br)cn1)c1ccc(SC(F)F)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-(difluoromethylsulfanyl)benzamide?
The InChIKey is JETFIWIJJIOQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2OS/c14-9-3-6-11(17-7-9)18-12(19)8-1-4-10(5-2-8)20-13(15)16/h1-7,13H,(H,17,18,19).
What are the key properties of N-(5-bromo-2-pyridinyl)-4-(difluoromethylsulfanyl)benzamide?
N-(5-bromo-2-pyridinyl)-4-(difluoromethylsulfanyl)benzamide has a molecular weight of 359.20 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4-(difluoromethylsulfanyl)benzamide is sourced from PubChem (CID 55504518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).