3-(4-methylphenyl)sulfonyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide

C17H19N3O5S — CID 9077670

IUPAC3-(4-methylphenyl)sulfonyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NNC(=O)Cn2ccccc2=O)cc1
InChIInChI=1S/C17H19N3O5S/c1-13-5-7-14(8-6-13)26(24,25)11-9-15(21)18-19-16(22)12-20-10-3-2-4-17(20)23/h2-8,10H,9,11-12H2,1H3,(H,18,21)(H,19,22)
InChIKeyJLHKKGUGTXSJFF-UHFFFAOYSA-N
MW377.42 g/mol
LogP0.17
Rot. Bonds6

About 3-(4-methylphenyl)sulfonyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide

3-(4-methylphenyl)sulfonyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide (PubChem CID 9077670) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide
PubChem CID9077670
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name3-(4-methylphenyl)sulfonyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NNC(=O)Cn2ccccc2=O)cc1
InChIInChI=1S/C17H19N3O5S/c1-13-5-7-14(8-6-13)26(24,25)11-9-15(21)18-19-16(22)12-20-10-3-2-4-17(20)23/h2-8,10H,9,11-12H2,1H3,(H,18,21)(H,19,22)
InChIKeyJLHKKGUGTXSJFF-UHFFFAOYSA-N
XLogP0.17
TPSA114.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 50.17
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 3-(4-methylphenyl)sulfonyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide (CID 9077670) is 3-(4-methylphenyl)sulfonyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide is Cc1ccc(S(=O)(=O)CCC(=O)NNC(=O)Cn2ccccc2=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide?
The InChIKey is JLHKKGUGTXSJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-13-5-7-14(8-6-13)26(24,25)11-9-15(21)18-19-16(22)12-20-10-3-2-4-17(20)23/h2-8,10H,9,11-12H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 3-(4-methylphenyl)sulfonyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide?
3-(4-methylphenyl)sulfonyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide has a molecular weight of 377.42 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide is sourced from PubChem (CID 9077670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).