N'-(4-methoxyphenyl)sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide

C21H24N4O5S — CID 26950404

IUPACN'-(4-methoxyphenyl)sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
SMILESCCCCCn1nc(C(=O)NNS(=O)(=O)c2ccc(OC)cc2)c2ccccc2c1=O
InChIInChI=1S/C21H24N4O5S/c1-3-4-7-14-25-21(27)18-9-6-5-8-17(18)19(23-25)20(26)22-24-31(28,29)16-12-10-15(30-2)11-13-16/h5-6,8-13,24H,3-4,7,14H2,1-2H3,(H,22,26)
InChIKeyUUUFBMSTZQDPKB-UHFFFAOYSA-N
MW444.51 g/mol
LogP2.22
Rot. Bonds9

About N'-(4-methoxyphenyl)sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide

N'-(4-methoxyphenyl)sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide (PubChem CID 26950404) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
PubChem CID26950404
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC NameN'-(4-methoxyphenyl)sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
SMILESCCCCCn1nc(C(=O)NNS(=O)(=O)c2ccc(OC)cc2)c2ccccc2c1=O
InChIInChI=1S/C21H24N4O5S/c1-3-4-7-14-25-21(27)18-9-6-5-8-17(18)19(23-25)20(26)22-24-31(28,29)16-12-10-15(30-2)11-13-16/h5-6,8-13,24H,3-4,7,14H2,1-2H3,(H,22,26)
InChIKeyUUUFBMSTZQDPKB-UHFFFAOYSA-N
XLogP2.22
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 30867720
N'-(3,4-dimethoxyphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 26949643
N-(3,5-dimethoxyphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 4805820
N'-(2-methoxybenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 26889959
N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
methyl 3-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]sulfamoyl]thiophene-2-carboxylate
CID 24563195
N'-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 26949623
N-(3-methoxyphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 4963988
3-hexyl-N-(3-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 2482884
N'-(2,6-difluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 29425395
3-butyl-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-oxophthalazine-1-carboxamide
CID 3525687
N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 24602616

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide?
The IUPAC name of N'-(4-methoxyphenyl)sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide (CID 26950404) is N'-(4-methoxyphenyl)sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide.
What is the SMILES notation for N'-(4-methoxyphenyl)sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide?
The canonical SMILES for N'-(4-methoxyphenyl)sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide is CCCCCn1nc(C(=O)NNS(=O)(=O)c2ccc(OC)cc2)c2ccccc2c1=O.
What is the InChIKey of N'-(4-methoxyphenyl)sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide?
The InChIKey is UUUFBMSTZQDPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-3-4-7-14-25-21(27)18-9-6-5-8-17(18)19(23-25)20(26)22-24-31(28,29)16-12-10-15(30-2)11-13-16/h5-6,8-13,24H,3-4,7,14H2,1-2H3,(H,22,26).
What are the key properties of N'-(4-methoxyphenyl)sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide?
N'-(4-methoxyphenyl)sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide has a molecular weight of 444.51 g/mol, XLogP of 2.22, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide is sourced from PubChem (CID 26950404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).