N-(4-fluorophenyl)-6-methylsulfonylquinolin-4-amine

C16H13FN2O2S — CID 67465574

IUPACN-(4-fluorophenyl)-6-methylsulfonylquinolin-4-amine
SMILESCS(=O)(=O)c1ccc2nccc(Nc3ccc(F)cc3)c2c1
InChIInChI=1S/C16H13FN2O2S/c1-22(20,21)13-6-7-15-14(10-13)16(8-9-18-15)19-12-4-2-11(17)3-5-12/h2-10H,1H3,(H,18,19)
InChIKeyZSTNNOOYPRVJBD-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.52
Rot. Bonds3

About N-(4-fluorophenyl)-6-methylsulfonylquinolin-4-amine

N-(4-fluorophenyl)-6-methylsulfonylquinolin-4-amine (PubChem CID 67465574) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-methylsulfonylquinolin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-methylsulfonylquinolin-4-amine
PubChem CID67465574
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC NameN-(4-fluorophenyl)-6-methylsulfonylquinolin-4-amine
SMILESCS(=O)(=O)c1ccc2nccc(Nc3ccc(F)cc3)c2c1
InChIInChI=1S/C16H13FN2O2S/c1-22(20,21)13-6-7-15-14(10-13)16(8-9-18-15)19-12-4-2-11(17)3-5-12/h2-10H,1H3,(H,18,19)
InChIKeyZSTNNOOYPRVJBD-UHFFFAOYSA-N
XLogP3.52
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-methylsulfonylquinolin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-6-methylsulfonylquinolin-4-amine (CID 67465574) is N-(4-fluorophenyl)-6-methylsulfonylquinolin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-6-methylsulfonylquinolin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-6-methylsulfonylquinolin-4-amine is CS(=O)(=O)c1ccc2nccc(Nc3ccc(F)cc3)c2c1.
What is the InChIKey of N-(4-fluorophenyl)-6-methylsulfonylquinolin-4-amine?
The InChIKey is ZSTNNOOYPRVJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c1-22(20,21)13-6-7-15-14(10-13)16(8-9-18-15)19-12-4-2-11(17)3-5-12/h2-10H,1H3,(H,18,19).
What are the key properties of N-(4-fluorophenyl)-6-methylsulfonylquinolin-4-amine?
N-(4-fluorophenyl)-6-methylsulfonylquinolin-4-amine has a molecular weight of 316.36 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-methylsulfonylquinolin-4-amine is sourced from PubChem (CID 67465574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).