4-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one

C21H20F2N4O4S — CID 26382668

IUPAC4-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one
SMILESCn1nc(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c2ccccc2c1=O
InChIInChI=1S/C21H20F2N4O4S/c1-25-21(29)16-5-3-2-4-15(16)18(24-25)13-20(28)26-8-10-27(11-9-26)32(30,31)19-7-6-14(22)12-17(19)23/h2-7,12H,8-11,13H2,1H3
InChIKeyGVEWTABOKFYWSR-UHFFFAOYSA-N
MW462.48 g/mol
LogP1.29
Rot. Bonds4

About 4-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one

4-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one (PubChem CID 26382668) has the molecular formula C21H20F2N4O4S and a molecular weight of 462.48 g/mol. Its IUPAC name is 4-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one.

Molecular Properties

Compound Name4-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one
PubChem CID26382668
Molecular FormulaC21H20F2N4O4S
Molecular Weight462.48 g/mol
Exact Mass462.12
IUPAC Name4-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one
SMILESCn1nc(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c2ccccc2c1=O
InChIInChI=1S/C21H20F2N4O4S/c1-25-21(29)16-5-3-2-4-15(16)18(24-25)13-20(28)26-8-10-27(11-9-26)32(30,31)19-7-6-14(22)12-17(19)23/h2-7,12H,8-11,13H2,1H3
InChIKeyGVEWTABOKFYWSR-UHFFFAOYSA-N
XLogP1.29
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one with MolForge

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Related Compounds

4-fluoro-N-[1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 38814186
4-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one
CID 55381465
1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 9365418
1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 51169740
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 17455845
4-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 4828065
2-methyl-4-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]phthalazin-1-one
CID 119577518
2-methyl-4-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 55975844
2-cyclopentyl-1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 9302375
methyl 4-(2,4-difluorophenyl)sulfonylpiperazine-1-carboxylate
CID 110818577
2-methyl-4-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]phthalazin-1-one
CID 55379468
1-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrimidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one?
The IUPAC name of 4-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one (CID 26382668) is 4-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one.
What is the SMILES notation for 4-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one?
The canonical SMILES for 4-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one is Cn1nc(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c2ccccc2c1=O.
What is the InChIKey of 4-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one?
The InChIKey is GVEWTABOKFYWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O4S/c1-25-21(29)16-5-3-2-4-15(16)18(24-25)13-20(28)26-8-10-27(11-9-26)32(30,31)19-7-6-14(22)12-17(19)23/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 4-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one?
4-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one has a molecular weight of 462.48 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one is sourced from PubChem (CID 26382668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).