N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]pyridazine-4-carboxamide

C18H14FN3OS — CID 50954849

IUPACN-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]pyridazine-4-carboxamide
SMILESO=C(Nc1ccccc1SCc1ccccc1F)c1ccnnc1
InChIInChI=1S/C18H14FN3OS/c19-15-6-2-1-5-14(15)12-24-17-8-4-3-7-16(17)22-18(23)13-9-10-20-21-11-13/h1-11H,12H2,(H,22,23)
InChIKeyJOLOIVWJKFCLDD-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.16
Rot. Bonds5

About N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]pyridazine-4-carboxamide

N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]pyridazine-4-carboxamide (PubChem CID 50954849) has the molecular formula C18H14FN3OS and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]pyridazine-4-carboxamide
PubChem CID50954849
Molecular FormulaC18H14FN3OS
Molecular Weight339.40 g/mol
Exact Mass339.08
IUPAC NameN-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]pyridazine-4-carboxamide
SMILESO=C(Nc1ccccc1SCc1ccccc1F)c1ccnnc1
InChIInChI=1S/C18H14FN3OS/c19-15-6-2-1-5-14(15)12-24-17-8-4-3-7-16(17)22-18(23)13-9-10-20-21-11-13/h1-11H,12H2,(H,22,23)
InChIKeyJOLOIVWJKFCLDD-UHFFFAOYSA-N
XLogP4.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]pyridazine-4-carboxamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]pyridazine-4-carboxamide (CID 50954849) is N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]pyridazine-4-carboxamide is O=C(Nc1ccccc1SCc1ccccc1F)c1ccnnc1.
What is the InChIKey of N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]pyridazine-4-carboxamide?
The InChIKey is JOLOIVWJKFCLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3OS/c19-15-6-2-1-5-14(15)12-24-17-8-4-3-7-16(17)22-18(23)13-9-10-20-21-11-13/h1-11H,12H2,(H,22,23).
What are the key properties of N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]pyridazine-4-carboxamide?
N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]pyridazine-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 50954849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).