2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone

C17H18ClN3OS — CID 7205778

IUPAC2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone
SMILESO=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)N1CCCCC1
InChIInChI=1S/C17H18ClN3OS/c18-14-6-4-13(5-7-14)15-8-9-16(20-19-15)23-12-17(22)21-10-2-1-3-11-21/h4-9H,1-3,10-12H2
InChIKeySVXUEKIRRHPWJW-UHFFFAOYSA-N
MW347.87 g/mol
LogP3.90
Rot. Bonds4

About 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone

2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone (PubChem CID 7205778) has the molecular formula C17H18ClN3OS and a molecular weight of 347.87 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone
PubChem CID7205778
Molecular FormulaC17H18ClN3OS
Molecular Weight347.87 g/mol
Exact Mass347.09
IUPAC Name2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone
SMILESO=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)N1CCCCC1
InChIInChI=1S/C17H18ClN3OS/c18-14-6-4-13(5-7-14)15-8-9-16(20-19-15)23-12-17(22)21-10-2-1-3-11-21/h4-9H,1-3,10-12H2
InChIKeySVXUEKIRRHPWJW-UHFFFAOYSA-N
XLogP3.90
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone (CID 7205778) is 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone is O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)N1CCCCC1.
What is the InChIKey of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone?
The InChIKey is SVXUEKIRRHPWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3OS/c18-14-6-4-13(5-7-14)15-8-9-16(20-19-15)23-12-17(22)21-10-2-1-3-11-21/h4-9H,1-3,10-12H2.
What are the key properties of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone?
2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone has a molecular weight of 347.87 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 7205778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).