N'-(4-fluoro-2-methylphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide

C19H19FN4O4S — CID 24656388

IUPACN'-(4-fluoro-2-methylphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNS(=O)(=O)c2ccc(F)cc2C)c2ccccc2c1=O
InChIInChI=1S/C19H19FN4O4S/c1-3-10-24-19(26)15-7-5-4-6-14(15)17(22-24)18(25)21-23-29(27,28)16-9-8-13(20)11-12(16)2/h4-9,11,23H,3,10H2,1-2H3,(H,21,25)
InChIKeyPKZWBAYKLJDYLG-UHFFFAOYSA-N
MW418.45 g/mol
LogP1.88
Rot. Bonds6

About N'-(4-fluoro-2-methylphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide

N'-(4-fluoro-2-methylphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide (PubChem CID 24656388) has the molecular formula C19H19FN4O4S and a molecular weight of 418.45 g/mol. Its IUPAC name is N'-(4-fluoro-2-methylphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluoro-2-methylphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
PubChem CID24656388
Molecular FormulaC19H19FN4O4S
Molecular Weight418.45 g/mol
Exact Mass418.11
IUPAC NameN'-(4-fluoro-2-methylphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNS(=O)(=O)c2ccc(F)cc2C)c2ccccc2c1=O
InChIInChI=1S/C19H19FN4O4S/c1-3-10-24-19(26)15-7-5-4-6-14(15)17(22-24)18(25)21-23-29(27,28)16-9-8-13(20)11-12(16)2/h4-9,11,23H,3,10H2,1-2H3,(H,21,25)
InChIKeyPKZWBAYKLJDYLG-UHFFFAOYSA-N
XLogP1.88
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 51.88
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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Frequently Asked Questions

What is the IUPAC name of N'-(4-fluoro-2-methylphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide?
The IUPAC name of N'-(4-fluoro-2-methylphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide (CID 24656388) is N'-(4-fluoro-2-methylphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide.
What is the SMILES notation for N'-(4-fluoro-2-methylphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide?
The canonical SMILES for N'-(4-fluoro-2-methylphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide is CCCn1nc(C(=O)NNS(=O)(=O)c2ccc(F)cc2C)c2ccccc2c1=O.
What is the InChIKey of N'-(4-fluoro-2-methylphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide?
The InChIKey is PKZWBAYKLJDYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O4S/c1-3-10-24-19(26)15-7-5-4-6-14(15)17(22-24)18(25)21-23-29(27,28)16-9-8-13(20)11-12(16)2/h4-9,11,23H,3,10H2,1-2H3,(H,21,25).
What are the key properties of N'-(4-fluoro-2-methylphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide?
N'-(4-fluoro-2-methylphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide has a molecular weight of 418.45 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluoro-2-methylphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide is sourced from PubChem (CID 24656388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).