N-(3,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine

C16H12F2N2O2S — CID 67469038

IUPACN-(3,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine
SMILESCS(=O)(=O)c1ccc2nccc(Nc3cc(F)cc(F)c3)c2c1
InChIInChI=1S/C16H12F2N2O2S/c1-23(21,22)13-2-3-15-14(9-13)16(4-5-19-15)20-12-7-10(17)6-11(18)8-12/h2-9H,1H3,(H,19,20)
InChIKeyYQZRLTXBOGFHPQ-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.66
Rot. Bonds3

About N-(3,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine

N-(3,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine (PubChem CID 67469038) has the molecular formula C16H12F2N2O2S and a molecular weight of 334.35 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine
PubChem CID67469038
Molecular FormulaC16H12F2N2O2S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC NameN-(3,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine
SMILESCS(=O)(=O)c1ccc2nccc(Nc3cc(F)cc(F)c3)c2c1
InChIInChI=1S/C16H12F2N2O2S/c1-23(21,22)13-2-3-15-14(9-13)16(4-5-19-15)20-12-7-10(17)6-11(18)8-12/h2-9H,1H3,(H,19,20)
InChIKeyYQZRLTXBOGFHPQ-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-(3,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine?
The IUPAC name of N-(3,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine (CID 67469038) is N-(3,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine.
What is the SMILES notation for N-(3,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine?
The canonical SMILES for N-(3,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine is CS(=O)(=O)c1ccc2nccc(Nc3cc(F)cc(F)c3)c2c1.
What is the InChIKey of N-(3,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine?
The InChIKey is YQZRLTXBOGFHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2S/c1-23(21,22)13-2-3-15-14(9-13)16(4-5-19-15)20-12-7-10(17)6-11(18)8-12/h2-9H,1H3,(H,19,20).
What are the key properties of N-(3,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine?
N-(3,5-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-(3,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine is sourced from PubChem (CID 67469038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).