N-(4-methylphenyl)sulfonyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide

C16H18N4O3S — CID 129169127

IUPACN-(4-methylphenyl)sulfonyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide
SMILESCC(C)=NNc1ccc(C(=O)NS(=O)(=O)c2ccc(C)cc2)cn1
InChIInChI=1S/C16H18N4O3S/c1-11(2)18-19-15-9-6-13(10-17-15)16(21)20-24(22,23)14-7-4-12(3)5-8-14/h4-10H,1-3H3,(H,17,19)(H,20,21)
InChIKeyMRINZAZVEHOEFL-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.32
Rot. Bonds5

About N-(4-methylphenyl)sulfonyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide

N-(4-methylphenyl)sulfonyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide (PubChem CID 129169127) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide
PubChem CID129169127
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-(4-methylphenyl)sulfonyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide
SMILESCC(C)=NNc1ccc(C(=O)NS(=O)(=O)c2ccc(C)cc2)cn1
InChIInChI=1S/C16H18N4O3S/c1-11(2)18-19-15-9-6-13(10-17-15)16(21)20-24(22,23)14-7-4-12(3)5-8-14/h4-10H,1-3H3,(H,17,19)(H,20,21)
InChIKeyMRINZAZVEHOEFL-UHFFFAOYSA-N
XLogP2.32
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-acetyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 100923791
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
N-(6-hydroxyhexyl)-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide
CID 89063545
N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide
CID 56655954
(2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate
CID 46174378
5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928409
4-(ethylsulfamoyl)-N-(5-methyl-2-pyridinyl)benzamide
CID 35026598
5-N-(benzenesulfonyl)-2-N-methylpyridine-2,5-dicarboxamide
CID 54564954
5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928163
N-(5-methyl-2-pyridinyl)-4-methylsulfonylbenzamide
CID 16583790
N-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 167929542
5-N-(4-acetamidophenyl)sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 19970615

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide (CID 129169127) is N-(4-methylphenyl)sulfonyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide is CC(C)=NNc1ccc(C(=O)NS(=O)(=O)c2ccc(C)cc2)cn1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide?
The InChIKey is MRINZAZVEHOEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-11(2)18-19-15-9-6-13(10-17-15)16(21)20-24(22,23)14-7-4-12(3)5-8-14/h4-10H,1-3H3,(H,17,19)(H,20,21).
What are the key properties of N-(4-methylphenyl)sulfonyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide?
N-(4-methylphenyl)sulfonyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide is sourced from PubChem (CID 129169127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).