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

C9H9F3N2O3S — CID 91572554

IUPAC2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide
SMILESCC(C(N)=O)S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C9H9F3N2O3S/c1-5(8(13)15)18(16,17)6-2-3-7(14-4-6)9(10,11)12/h2-5H,1H3,(H2,13,15)
InChIKeySPRHWHXXTOKOGO-UHFFFAOYSA-N
MW282.24 g/mol
LogP0.75
Rot. Bonds3

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

2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide (PubChem CID 91572554) has the molecular formula C9H9F3N2O3S and a molecular weight of 282.24 g/mol. Its IUPAC name is 2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide.

Molecular Properties

Compound Name2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide
PubChem CID91572554
Molecular FormulaC9H9F3N2O3S
Molecular Weight282.24 g/mol
Exact Mass282.03
IUPAC Name2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide
SMILESCC(C(N)=O)S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C9H9F3N2O3S/c1-5(8(13)15)18(16,17)6-2-3-7(14-4-6)9(10,11)12/h2-5H,1H3,(H2,13,15)
InChIKeySPRHWHXXTOKOGO-UHFFFAOYSA-N
XLogP0.75
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide?
The IUPAC name of 2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide (CID 91572554) is 2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide.
What is the SMILES notation for 2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide?
The canonical SMILES for 2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide is CC(C(N)=O)S(=O)(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide?
The InChIKey is SPRHWHXXTOKOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3S/c1-5(8(13)15)18(16,17)6-2-3-7(14-4-6)9(10,11)12/h2-5H,1H3,(H2,13,15).
What are the key properties of 2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide?
2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide has a molecular weight of 282.24 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide is sourced from PubChem (CID 91572554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).