5-(benzenesulfinyl)-N-(2,6-difluorophenyl)pyridin-2-amine

C17H12F2N2OS — CID 58961257

IUPAC5-(benzenesulfinyl)-N-(2,6-difluorophenyl)pyridin-2-amine
SMILESO=S(c1ccccc1)c1ccc(Nc2c(F)cccc2F)nc1
InChIInChI=1S/C17H12F2N2OS/c18-14-7-4-8-15(19)17(14)21-16-10-9-13(11-20-16)23(22)12-5-2-1-3-6-12/h1-11H,(H,20,21)
InChIKeyPZDOVWDZPQUGNZ-UHFFFAOYSA-N
MW330.36 g/mol
LogP4.27
Rot. Bonds4

About 5-(benzenesulfinyl)-N-(2,6-difluorophenyl)pyridin-2-amine

5-(benzenesulfinyl)-N-(2,6-difluorophenyl)pyridin-2-amine (PubChem CID 58961257) has the molecular formula C17H12F2N2OS and a molecular weight of 330.36 g/mol. Its IUPAC name is 5-(benzenesulfinyl)-N-(2,6-difluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(benzenesulfinyl)-N-(2,6-difluorophenyl)pyridin-2-amine
PubChem CID58961257
Molecular FormulaC17H12F2N2OS
Molecular Weight330.36 g/mol
Exact Mass330.06
IUPAC Name5-(benzenesulfinyl)-N-(2,6-difluorophenyl)pyridin-2-amine
SMILESO=S(c1ccccc1)c1ccc(Nc2c(F)cccc2F)nc1
InChIInChI=1S/C17H12F2N2OS/c18-14-7-4-8-15(19)17(14)21-16-10-9-13(11-20-16)23(22)12-5-2-1-3-6-12/h1-11H,(H,20,21)
InChIKeyPZDOVWDZPQUGNZ-UHFFFAOYSA-N
XLogP4.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfinyl)-N-(2,6-difluorophenyl)pyridin-2-amine?
The IUPAC name of 5-(benzenesulfinyl)-N-(2,6-difluorophenyl)pyridin-2-amine (CID 58961257) is 5-(benzenesulfinyl)-N-(2,6-difluorophenyl)pyridin-2-amine.
What is the SMILES notation for 5-(benzenesulfinyl)-N-(2,6-difluorophenyl)pyridin-2-amine?
The canonical SMILES for 5-(benzenesulfinyl)-N-(2,6-difluorophenyl)pyridin-2-amine is O=S(c1ccccc1)c1ccc(Nc2c(F)cccc2F)nc1.
What is the InChIKey of 5-(benzenesulfinyl)-N-(2,6-difluorophenyl)pyridin-2-amine?
The InChIKey is PZDOVWDZPQUGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2OS/c18-14-7-4-8-15(19)17(14)21-16-10-9-13(11-20-16)23(22)12-5-2-1-3-6-12/h1-11H,(H,20,21).
What are the key properties of 5-(benzenesulfinyl)-N-(2,6-difluorophenyl)pyridin-2-amine?
5-(benzenesulfinyl)-N-(2,6-difluorophenyl)pyridin-2-amine has a molecular weight of 330.36 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfinyl)-N-(2,6-difluorophenyl)pyridin-2-amine is sourced from PubChem (CID 58961257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).