2-methyl-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide

C16H15F3N2O3S — CID 24856116

IUPAC2-methyl-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
SMILESCC(C)(C(=O)Nc1cccnc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O3S/c1-15(2,14(22)21-12-4-3-9-20-10-12)25(23,24)13-7-5-11(6-8-13)16(17,18)19/h3-10H,1-2H3,(H,21,22)
InChIKeyNBIVGAXHHIGZCW-UHFFFAOYSA-N
MW372.37 g/mol
LogP3.29
Rot. Bonds4

About 2-methyl-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide

2-methyl-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide (PubChem CID 24856116) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is 2-methyl-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide.

Molecular Properties

Compound Name2-methyl-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
PubChem CID24856116
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC Name2-methyl-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
SMILESCC(C)(C(=O)Nc1cccnc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O3S/c1-15(2,14(22)21-12-4-3-9-20-10-12)25(23,24)13-7-5-11(6-8-13)16(17,18)19/h3-10H,1-2H3,(H,21,22)
InChIKeyNBIVGAXHHIGZCW-UHFFFAOYSA-N
XLogP3.29
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide?
The IUPAC name of 2-methyl-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide (CID 24856116) is 2-methyl-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide.
What is the SMILES notation for 2-methyl-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide?
The canonical SMILES for 2-methyl-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide is CC(C)(C(=O)Nc1cccnc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide?
The InChIKey is NBIVGAXHHIGZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c1-15(2,14(22)21-12-4-3-9-20-10-12)25(23,24)13-7-5-11(6-8-13)16(17,18)19/h3-10H,1-2H3,(H,21,22).
What are the key properties of 2-methyl-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide?
2-methyl-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide has a molecular weight of 372.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide is sourced from PubChem (CID 24856116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).