2-methyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one

C19H24N4O4S — CID 8924894

IUPAC2-methyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)c(C)c1
InChIInChI=1S/C19H24N4O4S/c1-13-11-14(2)18(15(3)12-13)28(26,27)23-9-7-22(8-10-23)19(25)16-5-6-17(24)21(4)20-16/h5-6,11-12H,7-10H2,1-4H3
InChIKeyMOPAELQHISFTLV-UHFFFAOYSA-N
MW404.49 g/mol
LogP0.85
Rot. Bonds3

About 2-methyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one

2-methyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one (PubChem CID 8924894) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-methyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one
PubChem CID8924894
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name2-methyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)c(C)c1
InChIInChI=1S/C19H24N4O4S/c1-13-11-14(2)18(15(3)12-13)28(26,27)23-9-7-22(8-10-23)19(25)16-5-6-17(24)21(4)20-16/h5-6,11-12H,7-10H2,1-4H3
InChIKeyMOPAELQHISFTLV-UHFFFAOYSA-N
XLogP0.85
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

pyrazin-2-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 29436988
2-(4-fluorophenyl)-6-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one
CID 55630322
(2-fluorophenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4816855
6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 43391811
N,N-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide
CID 971390
6-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 80707142
6-(4,4-difluoropiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 121184558
N-methyl-N-(4-methylphenyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide
CID 991663
[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 60520699
3-(3,5-dimethylpyrazol-1-yl)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 2981929
1H-indol-2-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9326892
2-methyl-6-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl]pyridazin-3-one
CID 122346335

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one (CID 8924894) is 2-methyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one is Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)c(C)c1.
What is the InChIKey of 2-methyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one?
The InChIKey is MOPAELQHISFTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-13-11-14(2)18(15(3)12-13)28(26,27)23-9-7-22(8-10-23)19(25)16-5-6-17(24)21(4)20-16/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 2-methyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one?
2-methyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one has a molecular weight of 404.49 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 8924894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).