2-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]propane-2-sulfinamide

C18H18F6N2OS — CID 89310296

IUPAC2-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(c1ccc(C(F)(F)F)cc1)c1ncccc1C(F)(F)F
InChIInChI=1S/C18H18F6N2OS/c1-16(2,3)28(27)26-14(11-6-8-12(9-7-11)17(19,20)21)15-13(18(22,23)24)5-4-10-25-15/h4-10,14,26H,1-3H3
InChIKeyZLLZWIKUFMETHN-UHFFFAOYSA-N
MW424.41 g/mol
LogP5.26
Rot. Bonds4

About 2-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]propane-2-sulfinamide

2-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]propane-2-sulfinamide (PubChem CID 89310296) has the molecular formula C18H18F6N2OS and a molecular weight of 424.41 g/mol. Its IUPAC name is 2-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]propane-2-sulfinamide
PubChem CID89310296
Molecular FormulaC18H18F6N2OS
Molecular Weight424.41 g/mol
Exact Mass424.10
IUPAC Name2-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(c1ccc(C(F)(F)F)cc1)c1ncccc1C(F)(F)F
InChIInChI=1S/C18H18F6N2OS/c1-16(2,3)28(27)26-14(11-6-8-12(9-7-11)17(19,20)21)15-13(18(22,23)24)5-4-10-25-15/h4-10,14,26H,1-3H3
InChIKeyZLLZWIKUFMETHN-UHFFFAOYSA-N
XLogP5.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.41
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]propane-2-sulfinamide 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 2-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]propane-2-sulfinamide (CID 89310296) is 2-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]propane-2-sulfinamide is CC(C)(C)S(=O)NC(c1ccc(C(F)(F)F)cc1)c1ncccc1C(F)(F)F.
What is the InChIKey of 2-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]propane-2-sulfinamide?
The InChIKey is ZLLZWIKUFMETHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F6N2OS/c1-16(2,3)28(27)26-14(11-6-8-12(9-7-11)17(19,20)21)15-13(18(22,23)24)5-4-10-25-15/h4-10,14,26H,1-3H3.
What are the key properties of 2-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]propane-2-sulfinamide?
2-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]propane-2-sulfinamide has a molecular weight of 424.41 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]propane-2-sulfinamide is sourced from PubChem (CID 89310296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).