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

C10H11F3N2O3S — CID 90761328

IUPAC2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide
SMILESCC(C)(C(N)=O)S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H11F3N2O3S/c1-9(2,8(14)16)19(17,18)6-3-4-7(15-5-6)10(11,12)13/h3-5H,1-2H3,(H2,14,16)
InChIKeyDEMHAZVLJAKWCS-UHFFFAOYSA-N
MW296.27 g/mol
LogP1.14
Rot. Bonds3

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

2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide (PubChem CID 90761328) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is 2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide
PubChem CID90761328
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC Name2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide
SMILESCC(C)(C(N)=O)S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H11F3N2O3S/c1-9(2,8(14)16)19(17,18)6-3-4-7(15-5-6)10(11,12)13/h3-5H,1-2H3,(H2,14,16)
InChIKeyDEMHAZVLJAKWCS-UHFFFAOYSA-N
XLogP1.14
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide?
The IUPAC name of 2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide (CID 90761328) is 2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide.
What is the SMILES notation for 2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide?
The canonical SMILES for 2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide is CC(C)(C(N)=O)S(=O)(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide?
The InChIKey is DEMHAZVLJAKWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c1-9(2,8(14)16)19(17,18)6-3-4-7(15-5-6)10(11,12)13/h3-5H,1-2H3,(H2,14,16).
What are the key properties of 2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide?
2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide has a molecular weight of 296.27 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide is sourced from PubChem (CID 90761328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).