N-(2,6-difluorophenyl)-6-methylsulfonylquinolin-4-amine

C16H12F2N2O2S — CID 67468594

IUPACN-(2,6-difluorophenyl)-6-methylsulfonylquinolin-4-amine
SMILESCS(=O)(=O)c1ccc2nccc(Nc3c(F)cccc3F)c2c1
InChIInChI=1S/C16H12F2N2O2S/c1-23(21,22)10-5-6-14-11(9-10)15(7-8-19-14)20-16-12(17)3-2-4-13(16)18/h2-9H,1H3,(H,19,20)
InChIKeyDWDNXRUUGQNYDB-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.66
Rot. Bonds3

About N-(2,6-difluorophenyl)-6-methylsulfonylquinolin-4-amine

N-(2,6-difluorophenyl)-6-methylsulfonylquinolin-4-amine (PubChem CID 67468594) has the molecular formula C16H12F2N2O2S and a molecular weight of 334.35 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-6-methylsulfonylquinolin-4-amine.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-6-methylsulfonylquinolin-4-amine
PubChem CID67468594
Molecular FormulaC16H12F2N2O2S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC NameN-(2,6-difluorophenyl)-6-methylsulfonylquinolin-4-amine
SMILESCS(=O)(=O)c1ccc2nccc(Nc3c(F)cccc3F)c2c1
InChIInChI=1S/C16H12F2N2O2S/c1-23(21,22)10-5-6-14-11(9-10)15(7-8-19-14)20-16-12(17)3-2-4-13(16)18/h2-9H,1H3,(H,19,20)
InChIKeyDWDNXRUUGQNYDB-UHFFFAOYSA-N
XLogP3.66
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-6-methylsulfonylquinolin-4-amine?
The IUPAC name of N-(2,6-difluorophenyl)-6-methylsulfonylquinolin-4-amine (CID 67468594) is N-(2,6-difluorophenyl)-6-methylsulfonylquinolin-4-amine.
What is the SMILES notation for N-(2,6-difluorophenyl)-6-methylsulfonylquinolin-4-amine?
The canonical SMILES for N-(2,6-difluorophenyl)-6-methylsulfonylquinolin-4-amine is CS(=O)(=O)c1ccc2nccc(Nc3c(F)cccc3F)c2c1.
What is the InChIKey of N-(2,6-difluorophenyl)-6-methylsulfonylquinolin-4-amine?
The InChIKey is DWDNXRUUGQNYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2S/c1-23(21,22)10-5-6-14-11(9-10)15(7-8-19-14)20-16-12(17)3-2-4-13(16)18/h2-9H,1H3,(H,19,20).
What are the key properties of N-(2,6-difluorophenyl)-6-methylsulfonylquinolin-4-amine?
N-(2,6-difluorophenyl)-6-methylsulfonylquinolin-4-amine has a molecular weight of 334.35 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-6-methylsulfonylquinolin-4-amine is sourced from PubChem (CID 67468594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).