N'-(2,6-difluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide

C18H16F2N4O4S — CID 29425395

IUPACN'-(2,6-difluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNS(=O)(=O)c2c(F)cccc2F)c2ccccc2c1=O
InChIInChI=1S/C18H16F2N4O4S/c1-2-10-24-18(26)12-7-4-3-6-11(12)15(22-24)17(25)21-23-29(27,28)16-13(19)8-5-9-14(16)20/h3-9,23H,2,10H2,1H3,(H,21,25)
InChIKeyWQWLYAFMRVOQAO-UHFFFAOYSA-N
MW422.41 g/mol
LogP1.71
Rot. Bonds6

About N'-(2,6-difluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide

N'-(2,6-difluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide (PubChem CID 29425395) has the molecular formula C18H16F2N4O4S and a molecular weight of 422.41 g/mol. Its IUPAC name is N'-(2,6-difluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(2,6-difluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
PubChem CID29425395
Molecular FormulaC18H16F2N4O4S
Molecular Weight422.41 g/mol
Exact Mass422.09
IUPAC NameN'-(2,6-difluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNS(=O)(=O)c2c(F)cccc2F)c2ccccc2c1=O
InChIInChI=1S/C18H16F2N4O4S/c1-2-10-24-18(26)12-7-4-3-6-11(12)15(22-24)17(25)21-23-29(27,28)16-13(19)8-5-9-14(16)20/h3-9,23H,2,10H2,1H3,(H,21,25)
InChIKeyWQWLYAFMRVOQAO-UHFFFAOYSA-N
XLogP1.71
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 26949623
4-oxo-N'-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonyl]-3-propylphthalazine-1-carbohydrazide
CID 55662956
N'-(3,4-dimethoxyphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 26949643
methyl 3-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]sulfamoyl]thiophene-2-carboxylate
CID 24563195
N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2110499
N'-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 33488877
N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 24602616
N'-(4-methoxyphenyl)sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 26950404
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 46524166
N-[(Z)-1-(2-fluorophenyl)ethylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide
CID 9465179
N'-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 30867720
N-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide
CID 3958187

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-difluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide?
The IUPAC name of N'-(2,6-difluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide (CID 29425395) is N'-(2,6-difluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide.
What is the SMILES notation for N'-(2,6-difluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide?
The canonical SMILES for N'-(2,6-difluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide is CCCn1nc(C(=O)NNS(=O)(=O)c2c(F)cccc2F)c2ccccc2c1=O.
What is the InChIKey of N'-(2,6-difluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide?
The InChIKey is WQWLYAFMRVOQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O4S/c1-2-10-24-18(26)12-7-4-3-6-11(12)15(22-24)17(25)21-23-29(27,28)16-13(19)8-5-9-14(16)20/h3-9,23H,2,10H2,1H3,(H,21,25).
What are the key properties of N'-(2,6-difluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide?
N'-(2,6-difluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide has a molecular weight of 422.41 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-difluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide is sourced from PubChem (CID 29425395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).