5-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one

C14H14Cl2N4O3S — CID 26436355

IUPAC5-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1Cl
InChIInChI=1S/C14H14Cl2N4O3S/c15-10-1-3-11(4-2-10)24(22,23)20-7-5-19(6-8-20)12-9-17-18-14(21)13(12)16/h1-4,9H,5-8H2,(H,18,21)
InChIKeyFQHYWYPGCICGAB-UHFFFAOYSA-N
MW389.26 g/mol
LogP1.59
Rot. Bonds3

About 5-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one

5-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 26436355) has the molecular formula C14H14Cl2N4O3S and a molecular weight of 389.26 g/mol. Its IUPAC name is 5-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one
PubChem CID26436355
Molecular FormulaC14H14Cl2N4O3S
Molecular Weight389.26 g/mol
Exact Mass388.02
IUPAC Name5-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1Cl
InChIInChI=1S/C14H14Cl2N4O3S/c15-10-1-3-11(4-2-10)24(22,23)20-7-5-19(6-8-20)12-9-17-18-14(21)13(12)16/h1-4,9H,5-8H2,(H,18,21)
InChIKeyFQHYWYPGCICGAB-UHFFFAOYSA-N
XLogP1.59
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(5-chloro-6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 46555870
5-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-pyridazin-6-one
CID 134038856
1-(4-chlorophenyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 60915587
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]benzonitrile
CID 69370902
5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642503
5-chloro-4-(4-phenylpiperidin-1-yl)-1H-pyridazin-6-one
CID 47151514
1-(2-chloro-4-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine
CID 2855419
1-(4-chloro-2-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine
CID 2885451
[6-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]boronic acid
CID 71463927
5-chloro-4-[4-[1-(4-fluorophenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138483856
4,5-dichloro-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]pyridazin-3-one
CID 31534078
1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 154834810

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one (CID 26436355) is 5-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1Cl.
What is the InChIKey of 5-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is FQHYWYPGCICGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O3S/c15-10-1-3-11(4-2-10)24(22,23)20-7-5-19(6-8-20)12-9-17-18-14(21)13(12)16/h1-4,9H,5-8H2,(H,18,21).
What are the key properties of 5-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 389.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 26436355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).