N'-(2,5-dichlorophenyl)sulfonyl-3-ethyl-4-oxophthalazine-1-carbohydrazide

C17H14Cl2N4O4S — CID 2080680

IUPACN'-(2,5-dichlorophenyl)sulfonyl-3-ethyl-4-oxophthalazine-1-carbohydrazide
SMILESCCn1nc(C(=O)NNS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2c1=O
InChIInChI=1S/C17H14Cl2N4O4S/c1-2-23-17(25)12-6-4-3-5-11(12)15(21-23)16(24)20-22-28(26,27)14-9-10(18)7-8-13(14)19/h3-9,22H,2H2,1H3,(H,20,24)
InChIKeyDQJXBSTTXMVBQI-UHFFFAOYSA-N
MW441.30 g/mol
LogP2.35
Rot. Bonds5

About N'-(2,5-dichlorophenyl)sulfonyl-3-ethyl-4-oxophthalazine-1-carbohydrazide

N'-(2,5-dichlorophenyl)sulfonyl-3-ethyl-4-oxophthalazine-1-carbohydrazide (PubChem CID 2080680) has the molecular formula C17H14Cl2N4O4S and a molecular weight of 441.30 g/mol. Its IUPAC name is N'-(2,5-dichlorophenyl)sulfonyl-3-ethyl-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dichlorophenyl)sulfonyl-3-ethyl-4-oxophthalazine-1-carbohydrazide
PubChem CID2080680
Molecular FormulaC17H14Cl2N4O4S
Molecular Weight441.30 g/mol
Exact Mass440.01
IUPAC NameN'-(2,5-dichlorophenyl)sulfonyl-3-ethyl-4-oxophthalazine-1-carbohydrazide
SMILESCCn1nc(C(=O)NNS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2c1=O
InChIInChI=1S/C17H14Cl2N4O4S/c1-2-23-17(25)12-6-4-3-5-11(12)15(21-23)16(24)20-22-28(26,27)14-9-10(18)7-8-13(14)19/h3-9,22H,2H2,1H3,(H,20,24)
InChIKeyDQJXBSTTXMVBQI-UHFFFAOYSA-N
XLogP2.35
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.30
LogP ≤ 52.35
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'-[2-(2,4-dichlorophenyl)acetyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 4806048
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 4806038
N'-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 26949623
N'-(4-chloro-2-iodobenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 39704558
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 4806034
N'-[3-(2,4-dichlorophenyl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 46577629
N-(2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 7733216
N'-(2,6-difluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 29425395
N-[2-(4-chlorophenyl)ethyl]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 26516305
N-(2,5-dichlorophenyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2506129
N'-(2-chloropyridine-4-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 34654446
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 56530654

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dichlorophenyl)sulfonyl-3-ethyl-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of N'-(2,5-dichlorophenyl)sulfonyl-3-ethyl-4-oxophthalazine-1-carbohydrazide (CID 2080680) is N'-(2,5-dichlorophenyl)sulfonyl-3-ethyl-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for N'-(2,5-dichlorophenyl)sulfonyl-3-ethyl-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for N'-(2,5-dichlorophenyl)sulfonyl-3-ethyl-4-oxophthalazine-1-carbohydrazide is CCn1nc(C(=O)NNS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2c1=O.
What is the InChIKey of N'-(2,5-dichlorophenyl)sulfonyl-3-ethyl-4-oxophthalazine-1-carbohydrazide?
The InChIKey is DQJXBSTTXMVBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O4S/c1-2-23-17(25)12-6-4-3-5-11(12)15(21-23)16(24)20-22-28(26,27)14-9-10(18)7-8-13(14)19/h3-9,22H,2H2,1H3,(H,20,24).
What are the key properties of N'-(2,5-dichlorophenyl)sulfonyl-3-ethyl-4-oxophthalazine-1-carbohydrazide?
N'-(2,5-dichlorophenyl)sulfonyl-3-ethyl-4-oxophthalazine-1-carbohydrazide has a molecular weight of 441.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dichlorophenyl)sulfonyl-3-ethyl-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 2080680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).