2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide

C16H13F6N3O3S — CID 24855970

IUPAC2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide
SMILESCC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H13F6N3O3S/c1-14(2,13(26)25-12-6-3-9(7-24-12)15(17,18)19)29(27,28)10-4-5-11(23-8-10)16(20,21)22/h3-8H,1-2H3,(H,24,25,26)
InChIKeyYJDWULDXTMLBLE-UHFFFAOYSA-N
MW441.35 g/mol
LogP3.71
Rot. Bonds4

About 2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide

2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide (PubChem CID 24855970) has the molecular formula C16H13F6N3O3S and a molecular weight of 441.35 g/mol. Its IUPAC name is 2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide
PubChem CID24855970
Molecular FormulaC16H13F6N3O3S
Molecular Weight441.35 g/mol
Exact Mass441.06
IUPAC Name2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide
SMILESCC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H13F6N3O3S/c1-14(2,13(26)25-12-6-3-9(7-24-12)15(17,18)19)29(27,28)10-4-5-11(23-8-10)16(20,21)22/h3-8H,1-2H3,(H,24,25,26)
InChIKeyYJDWULDXTMLBLE-UHFFFAOYSA-N
XLogP3.71
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide?
The IUPAC name of 2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide (CID 24855970) is 2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide?
The canonical SMILES for 2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide is CC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide?
The InChIKey is YJDWULDXTMLBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6N3O3S/c1-14(2,13(26)25-12-6-3-9(7-24-12)15(17,18)19)29(27,28)10-4-5-11(23-8-10)16(20,21)22/h3-8H,1-2H3,(H,24,25,26).
What are the key properties of 2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide?
2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide has a molecular weight of 441.35 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide is sourced from PubChem (CID 24855970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).