4-methyl-N'-[6-methyl-2-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-pyridazin-3-yl]benzenesulfonohydrazide

C19H24N4O4S2 — CID 132520686

IUPAC4-methyl-N'-[6-methyl-2-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-pyridazin-3-yl]benzenesulfonohydrazide
SMILESCC1=NN(S(=O)(=O)c2ccc(C)cc2)C(NNS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H24N4O4S2/c1-14-4-9-17(10-5-14)28(24,25)22-20-19-13-8-16(3)21-23(19)29(26,27)18-11-6-15(2)7-12-18/h4-7,9-12,19-20,22H,8,13H2,1-3H3
InChIKeyBPIMMZHIOSOPNW-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.27
Rot. Bonds6

About 4-methyl-N'-[6-methyl-2-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-pyridazin-3-yl]benzenesulfonohydrazide

4-methyl-N'-[6-methyl-2-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-pyridazin-3-yl]benzenesulfonohydrazide (PubChem CID 132520686) has the molecular formula C19H24N4O4S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 4-methyl-N'-[6-methyl-2-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-pyridazin-3-yl]benzenesulfonohydrazide.

Molecular Properties

Compound Name4-methyl-N'-[6-methyl-2-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-pyridazin-3-yl]benzenesulfonohydrazide
PubChem CID132520686
Molecular FormulaC19H24N4O4S2
Molecular Weight436.56 g/mol
Exact Mass436.12
IUPAC Name4-methyl-N'-[6-methyl-2-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-pyridazin-3-yl]benzenesulfonohydrazide
SMILESCC1=NN(S(=O)(=O)c2ccc(C)cc2)C(NNS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H24N4O4S2/c1-14-4-9-17(10-5-14)28(24,25)22-20-19-13-8-16(3)21-23(19)29(26,27)18-11-6-15(2)7-12-18/h4-7,9-12,19-20,22H,8,13H2,1-3H3
InChIKeyBPIMMZHIOSOPNW-UHFFFAOYSA-N
XLogP2.27
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.27
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[6-methyl-2-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-pyridazin-3-yl]benzenesulfonohydrazide?
The IUPAC name of 4-methyl-N'-[6-methyl-2-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-pyridazin-3-yl]benzenesulfonohydrazide (CID 132520686) is 4-methyl-N'-[6-methyl-2-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-pyridazin-3-yl]benzenesulfonohydrazide.
What is the SMILES notation for 4-methyl-N'-[6-methyl-2-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-pyridazin-3-yl]benzenesulfonohydrazide?
The canonical SMILES for 4-methyl-N'-[6-methyl-2-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-pyridazin-3-yl]benzenesulfonohydrazide is CC1=NN(S(=O)(=O)c2ccc(C)cc2)C(NNS(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 4-methyl-N'-[6-methyl-2-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-pyridazin-3-yl]benzenesulfonohydrazide?
The InChIKey is BPIMMZHIOSOPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S2/c1-14-4-9-17(10-5-14)28(24,25)22-20-19-13-8-16(3)21-23(19)29(26,27)18-11-6-15(2)7-12-18/h4-7,9-12,19-20,22H,8,13H2,1-3H3.
What are the key properties of 4-methyl-N'-[6-methyl-2-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-pyridazin-3-yl]benzenesulfonohydrazide?
4-methyl-N'-[6-methyl-2-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-pyridazin-3-yl]benzenesulfonohydrazide has a molecular weight of 436.56 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[6-methyl-2-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-pyridazin-3-yl]benzenesulfonohydrazide is sourced from PubChem (CID 132520686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).