1-(6-methyl-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylimidazole-4-carbohydrazide

C17H14F3N5O3S — CID 1488137

IUPAC1-(6-methyl-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylimidazole-4-carbohydrazide
SMILESCc1cccc(-n2cnc(C(=O)NNS(=O)(=O)c3cccc(C(F)(F)F)c3)c2)n1
InChIInChI=1S/C17H14F3N5O3S/c1-11-4-2-7-15(22-11)25-9-14(21-10-25)16(26)23-24-29(27,28)13-6-3-5-12(8-13)17(18,19)20/h2-10,24H,1H3,(H,23,26)
InChIKeyIOFGWSSJNBZDLY-UHFFFAOYSA-N
MW425.39 g/mol
LogP2.22
Rot. Bonds5

About 1-(6-methyl-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylimidazole-4-carbohydrazide

1-(6-methyl-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylimidazole-4-carbohydrazide (PubChem CID 1488137) has the molecular formula C17H14F3N5O3S and a molecular weight of 425.39 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylimidazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylimidazole-4-carbohydrazide
PubChem CID1488137
Molecular FormulaC17H14F3N5O3S
Molecular Weight425.39 g/mol
Exact Mass425.08
IUPAC Name1-(6-methyl-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylimidazole-4-carbohydrazide
SMILESCc1cccc(-n2cnc(C(=O)NNS(=O)(=O)c3cccc(C(F)(F)F)c3)c2)n1
InChIInChI=1S/C17H14F3N5O3S/c1-11-4-2-7-15(22-11)25-9-14(21-10-25)16(26)23-24-29(27,28)13-6-3-5-12(8-13)17(18,19)20/h2-10,24H,1H3,(H,23,26)
InChIKeyIOFGWSSJNBZDLY-UHFFFAOYSA-N
XLogP2.22
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 52.22
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 1-(6-methyl-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylimidazole-4-carbohydrazide?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylimidazole-4-carbohydrazide (CID 1488137) is 1-(6-methyl-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylimidazole-4-carbohydrazide.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylimidazole-4-carbohydrazide?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylimidazole-4-carbohydrazide is Cc1cccc(-n2cnc(C(=O)NNS(=O)(=O)c3cccc(C(F)(F)F)c3)c2)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylimidazole-4-carbohydrazide?
The InChIKey is IOFGWSSJNBZDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O3S/c1-11-4-2-7-15(22-11)25-9-14(21-10-25)16(26)23-24-29(27,28)13-6-3-5-12(8-13)17(18,19)20/h2-10,24H,1H3,(H,23,26).
What are the key properties of 1-(6-methyl-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylimidazole-4-carbohydrazide?
1-(6-methyl-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylimidazole-4-carbohydrazide has a molecular weight of 425.39 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylimidazole-4-carbohydrazide is sourced from PubChem (CID 1488137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).