1-methyl-N'-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpyrrole-2-carbohydrazide

C15H17N3O3S — CID 94619291

IUPAC1-methyl-N'-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpyrrole-2-carbohydrazide
SMILESCc1ccc(/C=C\S(=O)(=O)NNC(=O)c2cccn2C)cc1
InChIInChI=1S/C15H17N3O3S/c1-12-5-7-13(8-6-12)9-11-22(20,21)17-16-15(19)14-4-3-10-18(14)2/h3-11,17H,1-2H3,(H,16,19)/b11-9-
InChIKeyKPDZGIWIKGYQGE-LUAWRHEFSA-N
MW319.39 g/mol
LogP1.57
Rot. Bonds5

About 1-methyl-N'-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpyrrole-2-carbohydrazide

1-methyl-N'-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpyrrole-2-carbohydrazide (PubChem CID 94619291) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 1-methyl-N'-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpyrrole-2-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpyrrole-2-carbohydrazide
PubChem CID94619291
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name1-methyl-N'-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpyrrole-2-carbohydrazide
SMILESCc1ccc(/C=C\S(=O)(=O)NNC(=O)c2cccn2C)cc1
InChIInChI=1S/C15H17N3O3S/c1-12-5-7-13(8-6-12)9-11-22(20,21)17-16-15(19)14-4-3-10-18(14)2/h3-11,17H,1-2H3,(H,16,19)/b11-9-
InChIKeyKPDZGIWIKGYQGE-LUAWRHEFSA-N
XLogP1.57
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-methyl-N'-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpyrrole-2-carbohydrazide?
The IUPAC name of 1-methyl-N'-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpyrrole-2-carbohydrazide (CID 94619291) is 1-methyl-N'-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpyrrole-2-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpyrrole-2-carbohydrazide?
The canonical SMILES for 1-methyl-N'-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpyrrole-2-carbohydrazide is Cc1ccc(/C=C\S(=O)(=O)NNC(=O)c2cccn2C)cc1.
What is the InChIKey of 1-methyl-N'-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpyrrole-2-carbohydrazide?
The InChIKey is KPDZGIWIKGYQGE-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-12-5-7-13(8-6-12)9-11-22(20,21)17-16-15(19)14-4-3-10-18(14)2/h3-11,17H,1-2H3,(H,16,19)/b11-9-.
What are the key properties of 1-methyl-N'-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpyrrole-2-carbohydrazide?
1-methyl-N'-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpyrrole-2-carbohydrazide has a molecular weight of 319.39 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpyrrole-2-carbohydrazide is sourced from PubChem (CID 94619291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).