N-(2,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine

C16H12F2N2O2S — CID 67468876

IUPACN-(2,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine
SMILESCS(=O)(=O)c1ccc2nccc(Nc3cc(F)ccc3F)c2c1
InChIInChI=1S/C16H12F2N2O2S/c1-23(21,22)11-3-5-14-12(9-11)15(6-7-19-14)20-16-8-10(17)2-4-13(16)18/h2-9H,1H3,(H,19,20)
InChIKeyRFNLKNDBLCMJNY-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.66
Rot. Bonds3

About N-(2,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine

N-(2,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine (PubChem CID 67468876) has the molecular formula C16H12F2N2O2S and a molecular weight of 334.35 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine
PubChem CID67468876
Molecular FormulaC16H12F2N2O2S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC NameN-(2,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine
SMILESCS(=O)(=O)c1ccc2nccc(Nc3cc(F)ccc3F)c2c1
InChIInChI=1S/C16H12F2N2O2S/c1-23(21,22)11-3-5-14-12(9-11)15(6-7-19-14)20-16-8-10(17)2-4-13(16)18/h2-9H,1H3,(H,19,20)
InChIKeyRFNLKNDBLCMJNY-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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Related Compounds

8-(3''-Methanesulfonyl-biphenyl-3-yl)-6-(1-methanesulfonyl-1-methyl-ethyl)-quinoline
CID 10254542
3-Ethyl-4-(3''-(methylsulfonyl)biphenyl-3-yl)-8-(trifluoromethyl)quinoline
CID 46887799
4-(3''-(Methylsulfonyl)biphenyl-3-yl)-3-propyl-8-(trifluoromethyl)quinoline
CID 46887800
3-Isopropyl-4-(3''-(methylsulfonyl)biphenyl-3-yl)-8-(trifluoromethyl)quinoline
CID 46887851
TGFbetaRI-IN-3
CID 162640856
3,5-difluoro-N-(quinolin-8-yl)benzene-1-sulfonamide
CID 8028189
3-[(3,5-Difluorophenyl)sulfonyl]-8-fluoro-4-(4-fluorophenyl)quinoline
CID 25168256
LY 393558
CID 10347428
N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
CID 164619096
N-[2-(2-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
CID 164625072
N-[2-(2-methylphenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
CID 164625701
7-(4-methylsulfonylphenyl)-N-(2-phenyl-4-pyridinyl)quinolin-4-amine
CID 164627752

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine?
The IUPAC name of N-(2,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine (CID 67468876) is N-(2,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine.
What is the SMILES notation for N-(2,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine?
The canonical SMILES for N-(2,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine is CS(=O)(=O)c1ccc2nccc(Nc3cc(F)ccc3F)c2c1.
What is the InChIKey of N-(2,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine?
The InChIKey is RFNLKNDBLCMJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2S/c1-23(21,22)11-3-5-14-12(9-11)15(6-7-19-14)20-16-8-10(17)2-4-13(16)18/h2-9H,1H3,(H,19,20).
What are the key properties of N-(2,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine?
N-(2,5-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-(2,5-difluorophenyl)-6-methylsulfonylquinolin-4-amine is sourced from PubChem (CID 67468876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).