N'-(3-morpholin-4-ylsulfonylbenzoyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbohydrazide

C22H23N5O6S — CID 3927592

IUPACN'-(3-morpholin-4-ylsulfonylbenzoyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C22H23N5O6S/c28-20-10-9-19(25-27(20)17-6-2-1-3-7-17)22(30)24-23-21(29)16-5-4-8-18(15-16)34(31,32)26-11-13-33-14-12-26/h1-8,15H,9-14H2,(H,23,29)(H,24,30)
InChIKeyJQXNBZUBYVGWAE-UHFFFAOYSA-N
MW485.52 g/mol
LogP0.65
Rot. Bonds5

About N'-(3-morpholin-4-ylsulfonylbenzoyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbohydrazide

N'-(3-morpholin-4-ylsulfonylbenzoyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbohydrazide (PubChem CID 3927592) has the molecular formula C22H23N5O6S and a molecular weight of 485.52 g/mol. Its IUPAC name is N'-(3-morpholin-4-ylsulfonylbenzoyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-morpholin-4-ylsulfonylbenzoyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbohydrazide
PubChem CID3927592
Molecular FormulaC22H23N5O6S
Molecular Weight485.52 g/mol
Exact Mass485.14
IUPAC NameN'-(3-morpholin-4-ylsulfonylbenzoyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C22H23N5O6S/c28-20-10-9-19(25-27(20)17-6-2-1-3-7-17)22(30)24-23-21(29)16-5-4-8-18(15-16)34(31,32)26-11-13-33-14-12-26/h1-8,15H,9-14H2,(H,23,29)(H,24,30)
InChIKeyJQXNBZUBYVGWAE-UHFFFAOYSA-N
XLogP0.65
TPSA137.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 17016191
3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24642744
3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 26654250
N'-(3-morpholin-4-ylsulfonylbenzoyl)-2-oxochromene-3-carbohydrazide
CID 2543495
1-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 24583542
N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958
N-[(2S)-1-(2-benzoylhydrazinyl)-3-methyl-1-oxobutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 35513041
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
N'-(2-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide
CID 42996196
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
N'-methyl-3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 9479543
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490

Frequently Asked Questions

What is the IUPAC name of N'-(3-morpholin-4-ylsulfonylbenzoyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbohydrazide?
The IUPAC name of N'-(3-morpholin-4-ylsulfonylbenzoyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbohydrazide (CID 3927592) is N'-(3-morpholin-4-ylsulfonylbenzoyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbohydrazide.
What is the SMILES notation for N'-(3-morpholin-4-ylsulfonylbenzoyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbohydrazide?
The canonical SMILES for N'-(3-morpholin-4-ylsulfonylbenzoyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbohydrazide is O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1=NN(c2ccccc2)C(=O)CC1.
What is the InChIKey of N'-(3-morpholin-4-ylsulfonylbenzoyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbohydrazide?
The InChIKey is JQXNBZUBYVGWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O6S/c28-20-10-9-19(25-27(20)17-6-2-1-3-7-17)22(30)24-23-21(29)16-5-4-8-18(15-16)34(31,32)26-11-13-33-14-12-26/h1-8,15H,9-14H2,(H,23,29)(H,24,30).
What are the key properties of N'-(3-morpholin-4-ylsulfonylbenzoyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbohydrazide?
N'-(3-morpholin-4-ylsulfonylbenzoyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbohydrazide has a molecular weight of 485.52 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-morpholin-4-ylsulfonylbenzoyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbohydrazide is sourced from PubChem (CID 3927592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).