2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]but-2-enamide

C11H11F3N2O3S — CID 91943602

IUPAC2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]but-2-enamide
SMILESCC=C(C)C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H11F3N2O3S/c1-3-7(2)10(17)16-20(18,19)9-5-4-8(6-15-9)11(12,13)14/h3-6H,1-2H3,(H,16,17)
InChIKeyVXGBGQKYECQBRT-UHFFFAOYSA-N
MW308.28 g/mol
LogP1.87
Rot. Bonds3

About 2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]but-2-enamide

2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]but-2-enamide (PubChem CID 91943602) has the molecular formula C11H11F3N2O3S and a molecular weight of 308.28 g/mol. Its IUPAC name is 2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]but-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]but-2-enamide
PubChem CID91943602
Molecular FormulaC11H11F3N2O3S
Molecular Weight308.28 g/mol
Exact Mass308.04
IUPAC Name2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]but-2-enamide
SMILESCC=C(C)C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H11F3N2O3S/c1-3-7(2)10(17)16-20(18,19)9-5-4-8(6-15-9)11(12,13)14/h3-6H,1-2H3,(H,16,17)
InChIKeyVXGBGQKYECQBRT-UHFFFAOYSA-N
XLogP1.87
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(Trifluoromethyl)pyridine-2-sulfonamide
CID 13910921
3-Pyridinecarboxamide, 2-(aminosulfonyl)-N,N-dimethyl-
CID 14346876
N-Methyl-2-sulfamoylpyridine-3-carboxamide
CID 21645260
N-[(4-Methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)carbamoyl]-3-(trifluoromethyl)pyridine-2-sulfonamide
CID 139594374
Nicosulfuron-TP AUSN
CID 132990948
Gtps (ssre-018)
CID 146030227
N-(phenylsulfonyl)pyridine-3-carboxamide
CID 1500233
N-(4-methylphenyl)sulfonylpyridine-4-carboxamide
CID 13986997
5-Methyl-2-pyridinesulfonamide
CID 3614199
5-(Trifluoromethyl)-2-pyridinesulfonyl chloride
CID 11746909
N-(4-fluorophenyl)sulfonylpyridine-4-carboxamide
CID 57392919
N-(4-fluorophenyl)sulfonylpyridine-3-carboxamide
CID 57399859

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]but-2-enamide?
The IUPAC name of 2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]but-2-enamide (CID 91943602) is 2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]but-2-enamide.
What is the SMILES notation for 2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]but-2-enamide?
The canonical SMILES for 2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]but-2-enamide is CC=C(C)C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]but-2-enamide?
The InChIKey is VXGBGQKYECQBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3S/c1-3-7(2)10(17)16-20(18,19)9-5-4-8(6-15-9)11(12,13)14/h3-6H,1-2H3,(H,16,17).
What are the key properties of 2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]but-2-enamide?
2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]but-2-enamide has a molecular weight of 308.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]but-2-enamide is sourced from PubChem (CID 91943602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).