5-(4-methylsulfinylphenyl)-N-phenylpyridin-3-amine

C18H16N2OS — CID 143257850

IUPAC5-(4-methylsulfinylphenyl)-N-phenylpyridin-3-amine
SMILESCS(=O)c1ccc(-c2cncc(Nc3ccccc3)c2)cc1
InChIInChI=1S/C18H16N2OS/c1-22(21)18-9-7-14(8-10-18)15-11-17(13-19-12-15)20-16-5-3-2-4-6-16/h2-13,20H,1H3
InChIKeyWRZLSQXSSWEFGO-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.23
Rot. Bonds4

About 5-(4-methylsulfinylphenyl)-N-phenylpyridin-3-amine

5-(4-methylsulfinylphenyl)-N-phenylpyridin-3-amine (PubChem CID 143257850) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 5-(4-methylsulfinylphenyl)-N-phenylpyridin-3-amine.

Molecular Properties

Compound Name5-(4-methylsulfinylphenyl)-N-phenylpyridin-3-amine
PubChem CID143257850
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name5-(4-methylsulfinylphenyl)-N-phenylpyridin-3-amine
SMILESCS(=O)c1ccc(-c2cncc(Nc3ccccc3)c2)cc1
InChIInChI=1S/C18H16N2OS/c1-22(21)18-9-7-14(8-10-18)15-11-17(13-19-12-15)20-16-5-3-2-4-6-16/h2-13,20H,1H3
InChIKeyWRZLSQXSSWEFGO-UHFFFAOYSA-N
XLogP4.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-N-pyridin-3-YL-benzenesulfonamide
CID 757406
N-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide
CID 25266674
2-(4-(Methylsulfonyl)phenyl)pyridine
CID 46937403
6-[(4-Methylphenyl)thio]pyridin-3-amine
CID 2800121
Pyridine, 4-(2-(4-fluorophenyl)-5-(4-(methylsulfinyl)phenyl)-1H-pyrrol-3-yl)-
CID 9885993
3-(4-Methanesulfonyl-phenyl)-2-phenyl-pyridine
CID 9926659
4-[2-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-1H-pyrrol-3-yl]-pyridine
CID 9930407
3-(4-Methanesulfonyl-phenyl)-5-methyl-[2,3'']bipyridinyl
CID 9967049
5-(4,5-Difluoro-4''-methanesulfonyl-biphenyl-2-yl)-2-methyl-pyridine
CID 10570444
4-(3-(4-fluorophenyl)-5-(4-(methylsulfinyl)phenyl)-1H-pyrrol-2-yl)pyridine
CID 19072340
4-[2-(4-Methylsulfanyl-phenyl)-5-phenyl-1H-pyrrol-3-yl]-pyridine
CID 44323864
4-[2-(4-Fluoro-phenyl)-5-(4-methylsulfanyl-phenyl)-1H-pyrrol-3-yl]-pyridine
CID 44324149

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfinylphenyl)-N-phenylpyridin-3-amine?
The IUPAC name of 5-(4-methylsulfinylphenyl)-N-phenylpyridin-3-amine (CID 143257850) is 5-(4-methylsulfinylphenyl)-N-phenylpyridin-3-amine.
What is the SMILES notation for 5-(4-methylsulfinylphenyl)-N-phenylpyridin-3-amine?
The canonical SMILES for 5-(4-methylsulfinylphenyl)-N-phenylpyridin-3-amine is CS(=O)c1ccc(-c2cncc(Nc3ccccc3)c2)cc1.
What is the InChIKey of 5-(4-methylsulfinylphenyl)-N-phenylpyridin-3-amine?
The InChIKey is WRZLSQXSSWEFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-22(21)18-9-7-14(8-10-18)15-11-17(13-19-12-15)20-16-5-3-2-4-6-16/h2-13,20H,1H3.
What are the key properties of 5-(4-methylsulfinylphenyl)-N-phenylpyridin-3-amine?
5-(4-methylsulfinylphenyl)-N-phenylpyridin-3-amine has a molecular weight of 308.41 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfinylphenyl)-N-phenylpyridin-3-amine is sourced from PubChem (CID 143257850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).