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

C18H15FN2O2S — CID 90314621

IUPAC5-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyridin-2-amine
SMILESCS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1
InChIInChI=1S/C18H15FN2O2S/c1-24(22,23)17-5-3-2-4-15(17)12-6-8-14(16(19)10-12)13-7-9-18(20)21-11-13/h2-11H,1H3,(H2,20,21)
InChIKeyPBFZKZOCBAUDNE-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.54
Rot. Bonds3

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

5-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyridin-2-amine (PubChem CID 90314621) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyridin-2-amine
PubChem CID90314621
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Name5-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyridin-2-amine
SMILESCS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1
InChIInChI=1S/C18H15FN2O2S/c1-24(22,23)17-5-3-2-4-15(17)12-6-8-14(16(19)10-12)13-7-9-18(20)21-11-13/h2-11H,1H3,(H2,20,21)
InChIKeyPBFZKZOCBAUDNE-UHFFFAOYSA-N
XLogP3.54
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyridin-2-amine?
The IUPAC name of 5-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyridin-2-amine (CID 90314621) is 5-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyridin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyridin-2-amine is CS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1.
What is the InChIKey of 5-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyridin-2-amine?
The InChIKey is PBFZKZOCBAUDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-24(22,23)17-5-3-2-4-15(17)12-6-8-14(16(19)10-12)13-7-9-18(20)21-11-13/h2-11H,1H3,(H2,20,21).
What are the key properties of 5-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyridin-2-amine?
5-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyridin-2-amine has a molecular weight of 342.40 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 90314621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).