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

C19H14F4N2O2S — CID 57384536

IUPAC3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)c(F)c3)c2)cc1
InChIInChI=1S/C19H14F4N2O2S/c1-28(26,27)14-5-2-11(3-6-14)13-8-15(18(24)25-10-13)12-4-7-16(17(20)9-12)19(21,22)23/h2-10H,1H3,(H2,24,25)
InChIKeyANVVYAMFYDMKJD-UHFFFAOYSA-N
MW410.39 g/mol
LogP4.56
Rot. Bonds3

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

3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine (PubChem CID 57384536) has the molecular formula C19H14F4N2O2S and a molecular weight of 410.39 g/mol. Its IUPAC name is 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine
PubChem CID57384536
Molecular FormulaC19H14F4N2O2S
Molecular Weight410.39 g/mol
Exact Mass410.07
IUPAC Name3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)c(F)c3)c2)cc1
InChIInChI=1S/C19H14F4N2O2S/c1-28(26,27)14-5-2-11(3-6-14)13-8-15(18(24)25-10-13)12-4-7-16(17(20)9-12)19(21,22)23/h2-10H,1H3,(H2,24,25)
InChIKeyANVVYAMFYDMKJD-UHFFFAOYSA-N
XLogP4.56
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The IUPAC name of 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine (CID 57384536) is 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The canonical SMILES for 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)c(F)c3)c2)cc1.
What is the InChIKey of 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The InChIKey is ANVVYAMFYDMKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N2O2S/c1-28(26,27)14-5-2-11(3-6-14)13-8-15(18(24)25-10-13)12-4-7-16(17(20)9-12)19(21,22)23/h2-10H,1H3,(H2,24,25).
What are the key properties of 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine?
3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine has a molecular weight of 410.39 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine is sourced from PubChem (CID 57384536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).