2,2-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide

C13H17F3N2O3S — CID 127042660

IUPAC2,2-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H17F3N2O3S/c1-12(2,3)11(19)17-6-7-22(20,21)10-5-4-9(8-18-10)13(14,15)16/h4-5,8H,6-7H2,1-3H3,(H,17,19)
InChIKeyNEXLDSNRHZPQHH-UHFFFAOYSA-N
MW338.35 g/mol
LogP2.04
Rot. Bonds4

About 2,2-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide

2,2-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide (PubChem CID 127042660) has the molecular formula C13H17F3N2O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide
PubChem CID127042660
Molecular FormulaC13H17F3N2O3S
Molecular Weight338.35 g/mol
Exact Mass338.09
IUPAC Name2,2-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H17F3N2O3S/c1-12(2,3)11(19)17-6-7-22(20,21)10-5-4-9(8-18-10)13(14,15)16/h4-5,8H,6-7H2,1-3H3,(H,17,19)
InChIKeyNEXLDSNRHZPQHH-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide (CID 127042660) is 2,2-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide is CC(C)(C)C(=O)NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2,2-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide?
The InChIKey is NEXLDSNRHZPQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3S/c1-12(2,3)11(19)17-6-7-22(20,21)10-5-4-9(8-18-10)13(14,15)16/h4-5,8H,6-7H2,1-3H3,(H,17,19).
What are the key properties of 2,2-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide?
2,2-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide has a molecular weight of 338.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide is sourced from PubChem (CID 127042660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).