4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1H-quinoline-3-carbohydrazide

C17H15N3O5S — CID 54678747

IUPAC4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1H-quinoline-3-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2c(O)c3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C17H15N3O5S/c1-10-6-8-11(9-7-10)26(24,25)20-19-17(23)14-15(21)12-4-2-3-5-13(12)18-16(14)22/h2-9,20H,1H3,(H,19,23)(H2,18,21,22)
InChIKeyLKJQOIXFQMUAMR-UHFFFAOYSA-N
MW373.39 g/mol
LogP1.17
Rot. Bonds4

About 4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1H-quinoline-3-carbohydrazide

4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1H-quinoline-3-carbohydrazide (PubChem CID 54678747) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is 4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1H-quinoline-3-carbohydrazide.

Molecular Properties

Compound Name4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1H-quinoline-3-carbohydrazide
PubChem CID54678747
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC Name4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1H-quinoline-3-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2c(O)c3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C17H15N3O5S/c1-10-6-8-11(9-7-10)26(24,25)20-19-17(23)14-15(21)12-4-2-3-5-13(12)18-16(14)22/h2-9,20H,1H3,(H,19,23)(H2,18,21,22)
InChIKeyLKJQOIXFQMUAMR-UHFFFAOYSA-N
XLogP1.17
TPSA128.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1H-quinoline-3-carbohydrazide?
The IUPAC name of 4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1H-quinoline-3-carbohydrazide (CID 54678747) is 4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1H-quinoline-3-carbohydrazide.
What is the SMILES notation for 4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1H-quinoline-3-carbohydrazide?
The canonical SMILES for 4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1H-quinoline-3-carbohydrazide is Cc1ccc(S(=O)(=O)NNC(=O)c2c(O)c3ccccc3[nH]c2=O)cc1.
What is the InChIKey of 4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1H-quinoline-3-carbohydrazide?
The InChIKey is LKJQOIXFQMUAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S/c1-10-6-8-11(9-7-10)26(24,25)20-19-17(23)14-15(21)12-4-2-3-5-13(12)18-16(14)22/h2-9,20H,1H3,(H,19,23)(H2,18,21,22).
What are the key properties of 4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1H-quinoline-3-carbohydrazide?
4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1H-quinoline-3-carbohydrazide has a molecular weight of 373.39 g/mol, XLogP of 1.17, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1H-quinoline-3-carbohydrazide is sourced from PubChem (CID 54678747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).