4,5-dichloro-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]pyridazin-3-one

C18H22Cl2N4O3S — CID 17471659

IUPAC4,5-dichloro-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]pyridazin-3-one
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(Cn3ncc(Cl)c(Cl)c3=O)CC2)cc1
InChIInChI=1S/C18H22Cl2N4O3S/c1-13(2)14-3-5-15(6-4-14)28(26,27)23-9-7-22(8-10-23)12-24-18(25)17(20)16(19)11-21-24/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyWCGKVLMOLPPTBE-UHFFFAOYSA-N
MW445.37 g/mol
LogP2.64
Rot. Bonds5

About 4,5-dichloro-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]pyridazin-3-one

4,5-dichloro-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]pyridazin-3-one (PubChem CID 17471659) has the molecular formula C18H22Cl2N4O3S and a molecular weight of 445.37 g/mol. Its IUPAC name is 4,5-dichloro-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]pyridazin-3-one
PubChem CID17471659
Molecular FormulaC18H22Cl2N4O3S
Molecular Weight445.37 g/mol
Exact Mass444.08
IUPAC Name4,5-dichloro-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]pyridazin-3-one
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(Cn3ncc(Cl)c(Cl)c3=O)CC2)cc1
InChIInChI=1S/C18H22Cl2N4O3S/c1-13(2)14-3-5-15(6-4-14)28(26,27)23-9-7-22(8-10-23)12-24-18(25)17(20)16(19)11-21-24/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyWCGKVLMOLPPTBE-UHFFFAOYSA-N
XLogP2.64
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,5-dichloro-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

4,5-dichloro-2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 2093925
(2S)-2-methyl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8819224
4,5-dichloro-2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 46605780
1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113072676
2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 156878015
ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one
CID 143985261
4,5-dichloro-2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyridazin-3-one
CID 8862790
2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-amine;hydrochloride
CID 120847370
methyl 1-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]triazole-4-carboxylate
CID 55681332
1-(4-propan-2-ylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
CID 22208399
2-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]methyl]-4,5-dichloropyridazin-3-one
CID 46628729
2-[[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione
CID 9243841

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]pyridazin-3-one (CID 17471659) is 4,5-dichloro-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]pyridazin-3-one is CC(C)c1ccc(S(=O)(=O)N2CCN(Cn3ncc(Cl)c(Cl)c3=O)CC2)cc1.
What is the InChIKey of 4,5-dichloro-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]pyridazin-3-one?
The InChIKey is WCGKVLMOLPPTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O3S/c1-13(2)14-3-5-15(6-4-14)28(26,27)23-9-7-22(8-10-23)12-24-18(25)17(20)16(19)11-21-24/h3-6,11,13H,7-10,12H2,1-2H3.
What are the key properties of 4,5-dichloro-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]pyridazin-3-one?
4,5-dichloro-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]pyridazin-3-one has a molecular weight of 445.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 17471659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).