2-(4-fluorophenyl)-6-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one

C25H27FN4O4S — CID 55630322

IUPAC2-(4-fluorophenyl)-6-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)c1C
InChIInChI=1S/C25H27FN4O4S/c1-16-15-17(2)19(4)24(18(16)3)35(33,34)29-13-11-28(12-14-29)25(32)22-9-10-23(31)30(27-22)21-7-5-20(26)6-8-21/h5-10,15H,11-14H2,1-4H3
InChIKeySUNIMTUVXMBHKR-UHFFFAOYSA-N
MW498.58 g/mol
LogP2.75
Rot. Bonds4

About 2-(4-fluorophenyl)-6-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one

2-(4-fluorophenyl)-6-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one (PubChem CID 55630322) has the molecular formula C25H27FN4O4S and a molecular weight of 498.58 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one
PubChem CID55630322
Molecular FormulaC25H27FN4O4S
Molecular Weight498.58 g/mol
Exact Mass498.17
IUPAC Name2-(4-fluorophenyl)-6-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)c1C
InChIInChI=1S/C25H27FN4O4S/c1-16-15-17(2)19(4)24(18(16)3)35(33,34)29-13-11-28(12-14-29)25(32)22-9-10-23(31)30(27-22)21-7-5-20(26)6-8-21/h5-10,15H,11-14H2,1-4H3
InChIKeySUNIMTUVXMBHKR-UHFFFAOYSA-N
XLogP2.75
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-fluorophenyl)-6-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one with MolForge

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Related Compounds

[3-(4-fluorophenyl)imidazol-4-yl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 25486840
2-methyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one
CID 8924894
5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one
CID 7595013
6-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one
CID 124589320
(4-methylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2674216
1-(4-fluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-6-oxopyridazine-3-carboxamide
CID 55631550
(3R)-1-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695620
2-[4-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 55634977
[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-piperazin-1-ylmethanone
CID 154744491
6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one
CID 53081514
(3-phenylimidazol-4-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 25466506
(1,5-dimethylpyrazol-3-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 78904623

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-(4-fluorophenyl)-6-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one (CID 55630322) is 2-(4-fluorophenyl)-6-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-6-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-6-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one is Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)c1C.
What is the InChIKey of 2-(4-fluorophenyl)-6-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one?
The InChIKey is SUNIMTUVXMBHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O4S/c1-16-15-17(2)19(4)24(18(16)3)35(33,34)29-13-11-28(12-14-29)25(32)22-9-10-23(31)30(27-22)21-7-5-20(26)6-8-21/h5-10,15H,11-14H2,1-4H3.
What are the key properties of 2-(4-fluorophenyl)-6-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one?
2-(4-fluorophenyl)-6-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one has a molecular weight of 498.58 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 55630322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).