N-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide

C16H12FN3O2S — CID 42139265

IUPACN-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(SCc2ccccc2F)nn1)c1ccco1
InChIInChI=1S/C16H12FN3O2S/c17-12-5-2-1-4-11(12)10-23-15-8-7-14(19-20-15)18-16(21)13-6-3-9-22-13/h1-9H,10H2,(H,18,19,21)
InChIKeyNGNYILCFHHWPMG-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.75
Rot. Bonds5

About N-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide

N-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide (PubChem CID 42139265) has the molecular formula C16H12FN3O2S and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide
PubChem CID42139265
Molecular FormulaC16H12FN3O2S
Molecular Weight329.36 g/mol
Exact Mass329.06
IUPAC NameN-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(SCc2ccccc2F)nn1)c1ccco1
InChIInChI=1S/C16H12FN3O2S/c17-12-5-2-1-4-11(12)10-23-15-8-7-14(19-20-15)18-16(21)13-6-3-9-22-13/h1-9H,10H2,(H,18,19,21)
InChIKeyNGNYILCFHHWPMG-UHFFFAOYSA-N
XLogP3.75
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide?
The IUPAC name of N-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide (CID 42139265) is N-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide is O=C(Nc1ccc(SCc2ccccc2F)nn1)c1ccco1.
What is the InChIKey of N-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide?
The InChIKey is NGNYILCFHHWPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2S/c17-12-5-2-1-4-11(12)10-23-15-8-7-14(19-20-15)18-16(21)13-6-3-9-22-13/h1-9H,10H2,(H,18,19,21).
What are the key properties of N-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide?
N-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 42139265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).