4-methyl-N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)benzenesulfonohydrazide

C17H15N5O5S — CID 134090030

IUPAC4-methyl-N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)benzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNc2c([N+](=O)[O-])cnn(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C17H15N5O5S/c1-12-7-9-14(10-8-12)28(26,27)20-19-16-15(22(24)25)11-18-21(17(16)23)13-5-3-2-4-6-13/h2-11,19-20H,1H3
InChIKeyLAICRLYLOXNFGM-UHFFFAOYSA-N
MW401.40 g/mol
LogP1.75
Rot. Bonds6

About 4-methyl-N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)benzenesulfonohydrazide

4-methyl-N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)benzenesulfonohydrazide (PubChem CID 134090030) has the molecular formula C17H15N5O5S and a molecular weight of 401.40 g/mol. Its IUPAC name is 4-methyl-N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)benzenesulfonohydrazide.

Molecular Properties

Compound Name4-methyl-N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)benzenesulfonohydrazide
PubChem CID134090030
Molecular FormulaC17H15N5O5S
Molecular Weight401.40 g/mol
Exact Mass401.08
IUPAC Name4-methyl-N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)benzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNc2c([N+](=O)[O-])cnn(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C17H15N5O5S/c1-12-7-9-14(10-8-12)28(26,27)20-19-16-15(22(24)25)11-18-21(17(16)23)13-5-3-2-4-6-13/h2-11,19-20H,1H3
InChIKeyLAICRLYLOXNFGM-UHFFFAOYSA-N
XLogP1.75
TPSA136.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)pyridine-4-carbohydrazide
CID 134090056
1-(4-methylphenyl)-4-nitropyrazole-5-carbaldehyde
CID 139675378
5-chloro-4-nitro-1-phenylpyrazole
CID 105481380
N'-(6-anilino-5-nitropyrimidin-4-yl)-4-methylbenzenesulfonohydrazide
CID 22531829
5-(2-fluorophenyl)-1-(4-methylphenyl)-4-nitropyrazole
CID 102336731
4-methyl-N'-(5-nitro-6-oxo-1H-pyrimidin-4-yl)benzenesulfonohydrazide
CID 135709638
5-methyl-1-(4-methylsulfonylphenyl)-4-nitropyrazole
CID 69093432
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-nitrophenyl)benzenesulfonamide
CID 31672101
4-chloro-5-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26664163
4-methyl-N'-(2-methylphenyl)benzenesulfonohydrazide
CID 102581241
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide
CID 25342658
4-methyl-N'-[6-(N-methylanilino)-5-nitropyrimidin-4-yl]benzenesulfonohydrazide
CID 22526994

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)benzenesulfonohydrazide?
The IUPAC name of 4-methyl-N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)benzenesulfonohydrazide (CID 134090030) is 4-methyl-N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)benzenesulfonohydrazide.
What is the SMILES notation for 4-methyl-N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)benzenesulfonohydrazide?
The canonical SMILES for 4-methyl-N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)benzenesulfonohydrazide is Cc1ccc(S(=O)(=O)NNc2c([N+](=O)[O-])cnn(-c3ccccc3)c2=O)cc1.
What is the InChIKey of 4-methyl-N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)benzenesulfonohydrazide?
The InChIKey is LAICRLYLOXNFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O5S/c1-12-7-9-14(10-8-12)28(26,27)20-19-16-15(22(24)25)11-18-21(17(16)23)13-5-3-2-4-6-13/h2-11,19-20H,1H3.
What are the key properties of 4-methyl-N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)benzenesulfonohydrazide?
4-methyl-N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)benzenesulfonohydrazide has a molecular weight of 401.40 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)benzenesulfonohydrazide is sourced from PubChem (CID 134090030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).