5-(4-methylsulfonylphenyl)-3-pyridin-3-ylpyridin-2-amine

C17H15N3O2S — CID 53311135

IUPAC5-(4-methylsulfonylphenyl)-3-pyridin-3-ylpyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cccnc3)c2)cc1
InChIInChI=1S/C17H15N3O2S/c1-23(21,22)15-6-4-12(5-7-15)14-9-16(17(18)20-11-14)13-3-2-8-19-10-13/h2-11H,1H3,(H2,18,20)
InChIKeyISEIWXOWUTYATO-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.80
Rot. Bonds3

About 5-(4-methylsulfonylphenyl)-3-pyridin-3-ylpyridin-2-amine

5-(4-methylsulfonylphenyl)-3-pyridin-3-ylpyridin-2-amine (PubChem CID 53311135) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-3-pyridin-3-ylpyridin-2-amine.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-3-pyridin-3-ylpyridin-2-amine
PubChem CID53311135
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name5-(4-methylsulfonylphenyl)-3-pyridin-3-ylpyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cccnc3)c2)cc1
InChIInChI=1S/C17H15N3O2S/c1-23(21,22)15-6-4-12(5-7-15)14-9-16(17(18)20-11-14)13-3-2-8-19-10-13/h2-11H,1H3,(H2,18,20)
InChIKeyISEIWXOWUTYATO-UHFFFAOYSA-N
XLogP2.80
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)-3-pyridin-3-ylpyridin-2-amine?
The IUPAC name of 5-(4-methylsulfonylphenyl)-3-pyridin-3-ylpyridin-2-amine (CID 53311135) is 5-(4-methylsulfonylphenyl)-3-pyridin-3-ylpyridin-2-amine.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-3-pyridin-3-ylpyridin-2-amine?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-3-pyridin-3-ylpyridin-2-amine is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cccnc3)c2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-3-pyridin-3-ylpyridin-2-amine?
The InChIKey is ISEIWXOWUTYATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-23(21,22)15-6-4-12(5-7-15)14-9-16(17(18)20-11-14)13-3-2-8-19-10-13/h2-11H,1H3,(H2,18,20).
What are the key properties of 5-(4-methylsulfonylphenyl)-3-pyridin-3-ylpyridin-2-amine?
5-(4-methylsulfonylphenyl)-3-pyridin-3-ylpyridin-2-amine has a molecular weight of 325.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-3-pyridin-3-ylpyridin-2-amine is sourced from PubChem (CID 53311135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).