N'-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide

C18H16ClFN4O4S — CID 26949623

IUPACN'-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNS(=O)(=O)c2ccc(F)c(Cl)c2)c2ccccc2c1=O
InChIInChI=1S/C18H16ClFN4O4S/c1-2-9-24-18(26)13-6-4-3-5-12(13)16(22-24)17(25)21-23-29(27,28)11-7-8-15(20)14(19)10-11/h3-8,10,23H,2,9H2,1H3,(H,21,25)
InChIKeyONDYHROACQAXHG-UHFFFAOYSA-N
MW438.87 g/mol
LogP2.22
Rot. Bonds6

About N'-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide

N'-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide (PubChem CID 26949623) has the molecular formula C18H16ClFN4O4S and a molecular weight of 438.87 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
PubChem CID26949623
Molecular FormulaC18H16ClFN4O4S
Molecular Weight438.87 g/mol
Exact Mass438.06
IUPAC NameN'-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNS(=O)(=O)c2ccc(F)c(Cl)c2)c2ccccc2c1=O
InChIInChI=1S/C18H16ClFN4O4S/c1-2-9-24-18(26)13-6-4-3-5-12(13)16(22-24)17(25)21-23-29(27,28)11-7-8-15(20)14(19)10-11/h3-8,10,23H,2,9H2,1H3,(H,21,25)
InChIKeyONDYHROACQAXHG-UHFFFAOYSA-N
XLogP2.22
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.87
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2,6-difluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 29425395
N'-(3,4-dimethoxyphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 26949643
N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 24602616
N'-(2,5-dichlorophenyl)sulfonyl-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 2080680
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 24636564
N'-(4-methoxyphenyl)sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 26950404
N-(2,5-dichlorophenyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2506129
N'-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 30867720
N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide
CID 27564458
methyl 3-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]sulfamoyl]thiophene-2-carboxylate
CID 24563195
3-butyl-N'-(4-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 2532386
N'-[2-(2,4-dichlorophenyl)acetyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 4806048

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide (CID 26949623) is N'-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide is CCCn1nc(C(=O)NNS(=O)(=O)c2ccc(F)c(Cl)c2)c2ccccc2c1=O.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide?
The InChIKey is ONDYHROACQAXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O4S/c1-2-9-24-18(26)13-6-4-3-5-12(13)16(22-24)17(25)21-23-29(27,28)11-7-8-15(20)14(19)10-11/h3-8,10,23H,2,9H2,1H3,(H,21,25).
What are the key properties of N'-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide?
N'-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide has a molecular weight of 438.87 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide is sourced from PubChem (CID 26949623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).