formic acid;N-methylsulfonyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzamide

C16H15F3N2O6S — CID 162183352

IUPACformic acid;N-methylsulfonyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(COc2ccc(C(F)(F)F)nc2)cc1.O=CO
InChIInChI=1S/C15H13F3N2O4S.CH2O2/c1-25(22,23)20-14(21)11-4-2-10(3-5-11)9-24-12-6-7-13(19-8-12)15(16,17)18;2-1-3/h2-8H,9H2,1H3,(H,20,21);1H,(H,2,3)
InChIKeyZPIJNINWRWSWEN-UHFFFAOYSA-N
MW420.37 g/mol
LogP2.07
Rot. Bonds5

About formic acid;N-methylsulfonyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzamide

formic acid;N-methylsulfonyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzamide (PubChem CID 162183352) has the molecular formula C16H15F3N2O6S and a molecular weight of 420.37 g/mol. Its IUPAC name is formic acid;N-methylsulfonyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzamide.

Molecular Properties

Compound Nameformic acid;N-methylsulfonyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzamide
PubChem CID162183352
Molecular FormulaC16H15F3N2O6S
Molecular Weight420.37 g/mol
Exact Mass420.06
IUPAC Nameformic acid;N-methylsulfonyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(COc2ccc(C(F)(F)F)nc2)cc1.O=CO
InChIInChI=1S/C15H13F3N2O4S.CH2O2/c1-25(22,23)20-14(21)11-4-2-10(3-5-11)9-24-12-6-7-13(19-8-12)15(16,17)18;2-1-3/h2-8H,9H2,1H3,(H,20,21);1H,(H,2,3)
InChIKeyZPIJNINWRWSWEN-UHFFFAOYSA-N
XLogP2.07
TPSA122.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-phenylmethoxyphenoxy)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide
CID 43044114
N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]acetamide
CID 135394741
4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 56644738
5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)pyridine
CID 59391394
5-ethoxy-2-(trifluoromethyl)pyridine
CID 126758289
3-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 146154395
2,2-dimethyl-N-[methyl-oxo-[2-[6-(trifluoromethyl)-3-pyridinyl]ethylidene]-λ6-sulfanyl]propanamide
CID 91031568
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
2-oxo-3-[5-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]propanoic acid
CID 91058731
4-(methylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 71197021
N-[[5-[(4-methylsulfonylphenyl)methoxy]-2-pyridinyl]methylidene]hydroxylamine
CID 137199426

Frequently Asked Questions

What is the IUPAC name of formic acid;N-methylsulfonyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzamide?
The IUPAC name of formic acid;N-methylsulfonyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzamide (CID 162183352) is formic acid;N-methylsulfonyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzamide.
What is the SMILES notation for formic acid;N-methylsulfonyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzamide?
The canonical SMILES for formic acid;N-methylsulfonyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzamide is CS(=O)(=O)NC(=O)c1ccc(COc2ccc(C(F)(F)F)nc2)cc1.O=CO.
What is the InChIKey of formic acid;N-methylsulfonyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzamide?
The InChIKey is ZPIJNINWRWSWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O4S.CH2O2/c1-25(22,23)20-14(21)11-4-2-10(3-5-11)9-24-12-6-7-13(19-8-12)15(16,17)18;2-1-3/h2-8H,9H2,1H3,(H,20,21);1H,(H,2,3).
What are the key properties of formic acid;N-methylsulfonyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzamide?
formic acid;N-methylsulfonyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzamide has a molecular weight of 420.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-methylsulfonyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzamide is sourced from PubChem (CID 162183352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).