5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine

C19H15F3N2O3S — CID 53311304

IUPAC5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cccc(OC(F)(F)F)c3)c2)cc1
InChIInChI=1S/C19H15F3N2O3S/c1-28(25,26)16-7-5-12(6-8-16)14-10-17(18(23)24-11-14)13-3-2-4-15(9-13)27-19(20,21)22/h2-11H,1H3,(H2,23,24)
InChIKeyRAFGFIDLUQSHFE-UHFFFAOYSA-N
MW408.40 g/mol
LogP4.30
Rot. Bonds4

About 5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine

5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine (PubChem CID 53311304) has the molecular formula C19H15F3N2O3S and a molecular weight of 408.40 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
PubChem CID53311304
Molecular FormulaC19H15F3N2O3S
Molecular Weight408.40 g/mol
Exact Mass408.08
IUPAC Name5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cccc(OC(F)(F)F)c3)c2)cc1
InChIInChI=1S/C19H15F3N2O3S/c1-28(25,26)16-7-5-12(6-8-16)14-10-17(18(23)24-11-14)13-3-2-4-15(9-13)27-19(20,21)22/h2-11H,1H3,(H2,23,24)
InChIKeyRAFGFIDLUQSHFE-UHFFFAOYSA-N
XLogP4.30
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine?
The IUPAC name of 5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine (CID 53311304) is 5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cccc(OC(F)(F)F)c3)c2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine?
The InChIKey is RAFGFIDLUQSHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3S/c1-28(25,26)16-7-5-12(6-8-16)14-10-17(18(23)24-11-14)13-3-2-4-15(9-13)27-19(20,21)22/h2-11H,1H3,(H2,23,24).
What are the key properties of 5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine?
5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine has a molecular weight of 408.40 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine is sourced from PubChem (CID 53311304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).