2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide

C17H14FN3O2S — CID 3227999

IUPAC2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1ccc(-c2ccc(F)cc2)nn1)NCc1ccco1
InChIInChI=1S/C17H14FN3O2S/c18-13-5-3-12(4-6-13)15-7-8-17(21-20-15)24-11-16(22)19-10-14-2-1-9-23-14/h1-9H,10-11H2,(H,19,22)
InChIKeyPFANUBQGBSQSGI-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.28
Rot. Bonds6

About 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide

2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 3227999) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID3227999
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC Name2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1ccc(-c2ccc(F)cc2)nn1)NCc1ccco1
InChIInChI=1S/C17H14FN3O2S/c18-13-5-3-12(4-6-13)15-7-8-17(21-20-15)24-11-16(22)19-10-14-2-1-9-23-14/h1-9H,10-11H2,(H,19,22)
InChIKeyPFANUBQGBSQSGI-UHFFFAOYSA-N
XLogP3.28
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 3227999) is 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide is O=C(CSc1ccc(-c2ccc(F)cc2)nn1)NCc1ccco1.
What is the InChIKey of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is PFANUBQGBSQSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c18-13-5-3-12(4-6-13)15-7-8-17(21-20-15)24-11-16(22)19-10-14-2-1-9-23-14/h1-9H,10-11H2,(H,19,22).
What are the key properties of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 343.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 3227999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).