5-(4-methylsulfonylphenyl)-3-[2-(trifluoromethyl)-4-pyridinyl]pyridin-2-amine

C18H14F3N3O2S — CID 53311310

IUPAC5-(4-methylsulfonylphenyl)-3-[2-(trifluoromethyl)-4-pyridinyl]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccnc(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C18H14F3N3O2S/c1-27(25,26)14-4-2-11(3-5-14)13-8-15(17(22)24-10-13)12-6-7-23-16(9-12)18(19,20)21/h2-10H,1H3,(H2,22,24)
InChIKeyIEJRGOMPDLFNEO-UHFFFAOYSA-N
MW393.39 g/mol
LogP3.82
Rot. Bonds3

About 5-(4-methylsulfonylphenyl)-3-[2-(trifluoromethyl)-4-pyridinyl]pyridin-2-amine

5-(4-methylsulfonylphenyl)-3-[2-(trifluoromethyl)-4-pyridinyl]pyridin-2-amine (PubChem CID 53311310) has the molecular formula C18H14F3N3O2S and a molecular weight of 393.39 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-3-[2-(trifluoromethyl)-4-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-3-[2-(trifluoromethyl)-4-pyridinyl]pyridin-2-amine
PubChem CID53311310
Molecular FormulaC18H14F3N3O2S
Molecular Weight393.39 g/mol
Exact Mass393.08
IUPAC Name5-(4-methylsulfonylphenyl)-3-[2-(trifluoromethyl)-4-pyridinyl]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccnc(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C18H14F3N3O2S/c1-27(25,26)14-4-2-11(3-5-14)13-8-15(17(22)24-10-13)12-6-7-23-16(9-12)18(19,20)21/h2-10H,1H3,(H2,22,24)
InChIKeyIEJRGOMPDLFNEO-UHFFFAOYSA-N
XLogP3.82
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-methylsulfonylphenyl)-3-[2-(trifluoromethyl)-4-pyridinyl]pyridin-2-amine 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 5-(4-methylsulfonylphenyl)-3-[2-(trifluoromethyl)-4-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-(4-methylsulfonylphenyl)-3-[2-(trifluoromethyl)-4-pyridinyl]pyridin-2-amine (CID 53311310) is 5-(4-methylsulfonylphenyl)-3-[2-(trifluoromethyl)-4-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-3-[2-(trifluoromethyl)-4-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-3-[2-(trifluoromethyl)-4-pyridinyl]pyridin-2-amine is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccnc(C(F)(F)F)c3)c2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-3-[2-(trifluoromethyl)-4-pyridinyl]pyridin-2-amine?
The InChIKey is IEJRGOMPDLFNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2S/c1-27(25,26)14-4-2-11(3-5-14)13-8-15(17(22)24-10-13)12-6-7-23-16(9-12)18(19,20)21/h2-10H,1H3,(H2,22,24).
What are the key properties of 5-(4-methylsulfonylphenyl)-3-[2-(trifluoromethyl)-4-pyridinyl]pyridin-2-amine?
5-(4-methylsulfonylphenyl)-3-[2-(trifluoromethyl)-4-pyridinyl]pyridin-2-amine has a molecular weight of 393.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-3-[2-(trifluoromethyl)-4-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 53311310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).