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

C12H15F3N2O3S — CID 91652905

IUPAC3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pentanamide
SMILESCCC(C)CC(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H15F3N2O3S/c1-3-8(2)6-10(18)17-21(19,20)11-5-4-9(7-16-11)12(13,14)15/h4-5,7-8H,3,6H2,1-2H3,(H,17,18)
InChIKeyLWXZWOPOCYZSMY-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.34
Rot. Bonds5

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

3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pentanamide (PubChem CID 91652905) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is 3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pentanamide.

Molecular Properties

Compound Name3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pentanamide
PubChem CID91652905
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC Name3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pentanamide
SMILESCCC(C)CC(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H15F3N2O3S/c1-3-8(2)6-10(18)17-21(19,20)11-5-4-9(7-16-11)12(13,14)15/h4-5,7-8H,3,6H2,1-2H3,(H,17,18)
InChIKeyLWXZWOPOCYZSMY-UHFFFAOYSA-N
XLogP2.34
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pentanamide?
The IUPAC name of 3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pentanamide (CID 91652905) is 3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pentanamide.
What is the SMILES notation for 3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pentanamide?
The canonical SMILES for 3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pentanamide is CCC(C)CC(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pentanamide?
The InChIKey is LWXZWOPOCYZSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c1-3-8(2)6-10(18)17-21(19,20)11-5-4-9(7-16-11)12(13,14)15/h4-5,7-8H,3,6H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pentanamide?
3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pentanamide has a molecular weight of 324.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pentanamide is sourced from PubChem (CID 91652905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).