3-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-4-methoxy-3,4-dihydropyridin-2-amine

C13H14F2N2O3S — CID 90931286

IUPAC3-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-4-methoxy-3,4-dihydropyridin-2-amine
SMILESCOC1C=CN=C(Nc2ccc(S(C)(=O)=O)cc2F)C1F
InChIInChI=1S/C13H14F2N2O3S/c1-20-11-5-6-16-13(12(11)15)17-10-4-3-8(7-9(10)14)21(2,18)19/h3-7,11-12H,1-2H3,(H,16,17)
InChIKeyGGOFBOZTYMEHQC-UHFFFAOYSA-N
MW316.33 g/mol
LogP1.92
Rot. Bonds3

About 3-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-4-methoxy-3,4-dihydropyridin-2-amine

3-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-4-methoxy-3,4-dihydropyridin-2-amine (PubChem CID 90931286) has the molecular formula C13H14F2N2O3S and a molecular weight of 316.33 g/mol. Its IUPAC name is 3-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-4-methoxy-3,4-dihydropyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-4-methoxy-3,4-dihydropyridin-2-amine
PubChem CID90931286
Molecular FormulaC13H14F2N2O3S
Molecular Weight316.33 g/mol
Exact Mass316.07
IUPAC Name3-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-4-methoxy-3,4-dihydropyridin-2-amine
SMILESCOC1C=CN=C(Nc2ccc(S(C)(=O)=O)cc2F)C1F
InChIInChI=1S/C13H14F2N2O3S/c1-20-11-5-6-16-13(12(11)15)17-10-4-3-8(7-9(10)14)21(2,18)19/h3-7,11-12H,1-2H3,(H,16,17)
InChIKeyGGOFBOZTYMEHQC-UHFFFAOYSA-N
XLogP1.92
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-4-methoxy-3,4-dihydropyridin-2-amine?
The IUPAC name of 3-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-4-methoxy-3,4-dihydropyridin-2-amine (CID 90931286) is 3-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-4-methoxy-3,4-dihydropyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-4-methoxy-3,4-dihydropyridin-2-amine?
The canonical SMILES for 3-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-4-methoxy-3,4-dihydropyridin-2-amine is COC1C=CN=C(Nc2ccc(S(C)(=O)=O)cc2F)C1F.
What is the InChIKey of 3-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-4-methoxy-3,4-dihydropyridin-2-amine?
The InChIKey is GGOFBOZTYMEHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O3S/c1-20-11-5-6-16-13(12(11)15)17-10-4-3-8(7-9(10)14)21(2,18)19/h3-7,11-12H,1-2H3,(H,16,17).
What are the key properties of 3-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-4-methoxy-3,4-dihydropyridin-2-amine?
3-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-4-methoxy-3,4-dihydropyridin-2-amine has a molecular weight of 316.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-4-methoxy-3,4-dihydropyridin-2-amine is sourced from PubChem (CID 90931286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).