N-(5-fluoro-2-methylphenyl)-6-methylsulfonylquinolin-4-amine

C17H15FN2O2S — CID 67469156

IUPACN-(5-fluoro-2-methylphenyl)-6-methylsulfonylquinolin-4-amine
SMILESCc1ccc(F)cc1Nc1ccnc2ccc(S(C)(=O)=O)cc12
InChIInChI=1S/C17H15FN2O2S/c1-11-3-4-12(18)9-17(11)20-16-7-8-19-15-6-5-13(10-14(15)16)23(2,21)22/h3-10H,1-2H3,(H,19,20)
InChIKeyNXBPQLCEKGOXAU-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.83
Rot. Bonds3

About N-(5-fluoro-2-methylphenyl)-6-methylsulfonylquinolin-4-amine

N-(5-fluoro-2-methylphenyl)-6-methylsulfonylquinolin-4-amine (PubChem CID 67469156) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-6-methylsulfonylquinolin-4-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-6-methylsulfonylquinolin-4-amine
PubChem CID67469156
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC NameN-(5-fluoro-2-methylphenyl)-6-methylsulfonylquinolin-4-amine
SMILESCc1ccc(F)cc1Nc1ccnc2ccc(S(C)(=O)=O)cc12
InChIInChI=1S/C17H15FN2O2S/c1-11-3-4-12(18)9-17(11)20-16-7-8-19-15-6-5-13(10-14(15)16)23(2,21)22/h3-10H,1-2H3,(H,19,20)
InChIKeyNXBPQLCEKGOXAU-UHFFFAOYSA-N
XLogP3.83
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-6-methylsulfonylquinolin-4-amine?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-6-methylsulfonylquinolin-4-amine (CID 67469156) is N-(5-fluoro-2-methylphenyl)-6-methylsulfonylquinolin-4-amine.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-6-methylsulfonylquinolin-4-amine?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-6-methylsulfonylquinolin-4-amine is Cc1ccc(F)cc1Nc1ccnc2ccc(S(C)(=O)=O)cc12.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-6-methylsulfonylquinolin-4-amine?
The InChIKey is NXBPQLCEKGOXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-11-3-4-12(18)9-17(11)20-16-7-8-19-15-6-5-13(10-14(15)16)23(2,21)22/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(5-fluoro-2-methylphenyl)-6-methylsulfonylquinolin-4-amine?
N-(5-fluoro-2-methylphenyl)-6-methylsulfonylquinolin-4-amine has a molecular weight of 330.38 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-6-methylsulfonylquinolin-4-amine is sourced from PubChem (CID 67469156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).