3-(furan-3-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine

C16H14N2O3S — CID 53311219

IUPAC3-(furan-3-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccoc3)c2)cc1
InChIInChI=1S/C16H14N2O3S/c1-22(19,20)14-4-2-11(3-5-14)13-8-15(16(17)18-9-13)12-6-7-21-10-12/h2-10H,1H3,(H2,17,18)
InChIKeyAZGVCLHFJHUBLQ-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.99
Rot. Bonds3

About 3-(furan-3-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine

3-(furan-3-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine (PubChem CID 53311219) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 3-(furan-3-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(furan-3-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
PubChem CID53311219
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name3-(furan-3-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccoc3)c2)cc1
InChIInChI=1S/C16H14N2O3S/c1-22(19,20)14-4-2-11(3-5-14)13-8-15(16(17)18-9-13)12-6-7-21-10-12/h2-10H,1H3,(H2,17,18)
InChIKeyAZGVCLHFJHUBLQ-UHFFFAOYSA-N
XLogP2.99
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The IUPAC name of 3-(furan-3-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine (CID 53311219) is 3-(furan-3-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-(furan-3-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The canonical SMILES for 3-(furan-3-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccoc3)c2)cc1.
What is the InChIKey of 3-(furan-3-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The InChIKey is AZGVCLHFJHUBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-22(19,20)14-4-2-11(3-5-14)13-8-15(16(17)18-9-13)12-6-7-21-10-12/h2-10H,1H3,(H2,17,18).
What are the key properties of 3-(furan-3-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
3-(furan-3-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine has a molecular weight of 314.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine is sourced from PubChem (CID 53311219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).