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

C20H17F3N2O2S — CID 57384535

IUPAC5-(4-methylsulfonylphenyl)-3-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cc1C(F)(F)F
InChIInChI=1S/C20H17F3N2O2S/c1-12-3-4-14(10-18(12)20(21,22)23)17-9-15(11-25-19(17)24)13-5-7-16(8-6-13)28(2,26)27/h3-11H,1-2H3,(H2,24,25)
InChIKeyFYHRHLBJDZJKLC-UHFFFAOYSA-N
MW406.43 g/mol
LogP4.73
Rot. Bonds3

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

5-(4-methylsulfonylphenyl)-3-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 57384535) has the molecular formula C20H17F3N2O2S and a molecular weight of 406.43 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-3-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-3-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID57384535
Molecular FormulaC20H17F3N2O2S
Molecular Weight406.43 g/mol
Exact Mass406.10
IUPAC Name5-(4-methylsulfonylphenyl)-3-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cc1C(F)(F)F
InChIInChI=1S/C20H17F3N2O2S/c1-12-3-4-14(10-18(12)20(21,22)23)17-9-15(11-25-19(17)24)13-5-7-16(8-6-13)28(2,26)27/h3-11H,1-2H3,(H2,24,25)
InChIKeyFYHRHLBJDZJKLC-UHFFFAOYSA-N
XLogP4.73
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Mmv-048
CID 53311393
5-(4-Methylsulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 53259031
5-(4-Methylsulfonylphenyl)-3-(3-pyridyl)pyridin-2-amine
CID 53311135
4-[2-Amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]benzonitrile
CID 53311136
4-{2-Amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}benzamide
CID 53311138
5-(4-Methylsulfonylphenyl)-3-(6-pyrrolidin-1-yl-3-pyridyl)pyridin-2-amine
CID 53311306
3-[2-Chloro-4-(trifluoromethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311307
5-(4-Methylsulfonylphenyl)-3-[2-(trifluoromethyl)pyridin-4-yl]pyridin-2-amine
CID 53311310
3-(6-Methyl-3-pyridyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311392
5-[2-Amino-5-(4-methylsulfonylphenyl)-3-pyridyl]pyrimidin-2-amine
CID 53311397
3-(6-Fluoro-3-pyridyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311562
5-(4-Methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 53311566

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)-3-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 5-(4-methylsulfonylphenyl)-3-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine (CID 57384535) is 5-(4-methylsulfonylphenyl)-3-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-3-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-3-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine is Cc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cc1C(F)(F)F.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-3-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is FYHRHLBJDZJKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2S/c1-12-3-4-14(10-18(12)20(21,22)23)17-9-15(11-25-19(17)24)13-5-7-16(8-6-13)28(2,26)27/h3-11H,1-2H3,(H2,24,25).
What are the key properties of 5-(4-methylsulfonylphenyl)-3-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine?
5-(4-methylsulfonylphenyl)-3-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 406.43 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-3-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 57384535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).