N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide

C20H19F2N5O5S — CID 27564458

IUPACN-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide
SMILESCCn1nc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)c2ccccc2c1=O
InChIInChI=1S/C20H19F2N5O5S/c1-2-27-20(30)14-6-4-3-5-13(14)18(26-27)19(29)25-24-17(28)9-10-23-33(31,32)12-7-8-15(21)16(22)11-12/h3-8,11,23H,2,9-10H2,1H3,(H,24,28)(H,25,29)
InChIKeyRIFFAMOAYUKQCK-UHFFFAOYSA-N
MW479.47 g/mol
LogP0.82
Rot. Bonds7

About N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide

N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide (PubChem CID 27564458) has the molecular formula C20H19F2N5O5S and a molecular weight of 479.47 g/mol. Its IUPAC name is N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide
PubChem CID27564458
Molecular FormulaC20H19F2N5O5S
Molecular Weight479.47 g/mol
Exact Mass479.11
IUPAC NameN-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide
SMILESCCn1nc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)c2ccccc2c1=O
InChIInChI=1S/C20H19F2N5O5S/c1-2-27-20(30)14-6-4-3-5-13(14)18(26-27)19(29)25-24-17(28)9-10-23-33(31,32)12-7-8-15(21)16(22)11-12/h3-8,11,23H,2,9-10H2,1H3,(H,24,28)(H,25,29)
InChIKeyRIFFAMOAYUKQCK-UHFFFAOYSA-N
XLogP0.82
TPSA139.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.47
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide 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

3,4-difluoro-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 27698576
N'-[3-(2,4-dichlorophenyl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 46577629
N'-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 26949623
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 24636564
3-ethyl-4-oxo-N'-(3-phenylsulfanylpropanoyl)phthalazine-1-carbohydrazide
CID 7979969
N'-(2,5-dichlorophenyl)sulfonyl-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 2080680
N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide
CID 27621342
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 4806038
N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 4822586
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 7969430
N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide (CID 27564458) is N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide is CCn1nc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)c2ccccc2c1=O.
What is the InChIKey of N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide?
The InChIKey is RIFFAMOAYUKQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O5S/c1-2-27-20(30)14-6-4-3-5-13(14)18(26-27)19(29)25-24-17(28)9-10-23-33(31,32)12-7-8-15(21)16(22)11-12/h3-8,11,23H,2,9-10H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide?
N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide has a molecular weight of 479.47 g/mol, XLogP of 0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 27564458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).