1-(4-chlorophenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone

C17H12ClN3OS — CID 7207487

IUPAC1-(4-chlorophenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone
SMILESO=C(CSc1ccc(-c2ccncc2)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C17H12ClN3OS/c18-14-3-1-13(2-4-14)16(22)11-23-17-6-5-15(20-21-17)12-7-9-19-10-8-12/h1-10H,11H2
InChIKeyUQQNZAAJHNJTPC-UHFFFAOYSA-N
MW341.82 g/mol
LogP4.17
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone

1-(4-chlorophenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone (PubChem CID 7207487) has the molecular formula C17H12ClN3OS and a molecular weight of 341.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone
PubChem CID7207487
Molecular FormulaC17H12ClN3OS
Molecular Weight341.82 g/mol
Exact Mass341.04
IUPAC Name1-(4-chlorophenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone
SMILESO=C(CSc1ccc(-c2ccncc2)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C17H12ClN3OS/c18-14-3-1-13(2-4-14)16(22)11-23-17-6-5-15(20-21-17)12-7-9-19-10-8-12/h1-10H,11H2
InChIKeyUQQNZAAJHNJTPC-UHFFFAOYSA-N
XLogP4.17
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone (CID 7207487) is 1-(4-chlorophenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone is O=C(CSc1ccc(-c2ccncc2)nn1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone?
The InChIKey is UQQNZAAJHNJTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3OS/c18-14-3-1-13(2-4-14)16(22)11-23-17-6-5-15(20-21-17)12-7-9-19-10-8-12/h1-10H,11H2.
What are the key properties of 1-(4-chlorophenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone?
1-(4-chlorophenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone has a molecular weight of 341.82 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone is sourced from PubChem (CID 7207487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).