2-methyl-2-propan-2-ylsulfonyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide

C13H17F3N2O3S — CID 25002267

IUPAC2-methyl-2-propan-2-ylsulfonyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C)S(=O)(=O)C(C)(C)C(=O)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C13H17F3N2O3S/c1-8(2)22(20,21)12(3,4)11(19)18-10-7-5-6-9(17-10)13(14,15)16/h5-8H,1-4H3,(H,17,18,19)
InChIKeyBOHWYWZEZZFGAC-UHFFFAOYSA-N
MW338.35 g/mol
LogP2.64
Rot. Bonds4

About 2-methyl-2-propan-2-ylsulfonyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide

2-methyl-2-propan-2-ylsulfonyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 25002267) has the molecular formula C13H17F3N2O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-methyl-2-propan-2-ylsulfonyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-propan-2-ylsulfonyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID25002267
Molecular FormulaC13H17F3N2O3S
Molecular Weight338.35 g/mol
Exact Mass338.09
IUPAC Name2-methyl-2-propan-2-ylsulfonyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C)S(=O)(=O)C(C)(C)C(=O)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C13H17F3N2O3S/c1-8(2)22(20,21)12(3,4)11(19)18-10-7-5-6-9(17-10)13(14,15)16/h5-8H,1-4H3,(H,17,18,19)
InChIKeyBOHWYWZEZZFGAC-UHFFFAOYSA-N
XLogP2.64
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propan-2-ylsulfonyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of 2-methyl-2-propan-2-ylsulfonyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (CID 25002267) is 2-methyl-2-propan-2-ylsulfonyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-methyl-2-propan-2-ylsulfonyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-methyl-2-propan-2-ylsulfonyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is CC(C)S(=O)(=O)C(C)(C)C(=O)Nc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-2-propan-2-ylsulfonyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is BOHWYWZEZZFGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3S/c1-8(2)22(20,21)12(3,4)11(19)18-10-7-5-6-9(17-10)13(14,15)16/h5-8H,1-4H3,(H,17,18,19).
What are the key properties of 2-methyl-2-propan-2-ylsulfonyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
2-methyl-2-propan-2-ylsulfonyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 338.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propan-2-ylsulfonyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 25002267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).