N-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide

C17H15FN2O2S — CID 4685114

IUPACN-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cccc3cccnc23)cc1F
InChIInChI=1S/C17H15FN2O2S/c1-12-7-8-13(10-15(12)18)11-20-23(21,22)16-6-2-4-14-5-3-9-19-17(14)16/h2-10,20H,11H2,1H3
InChIKeyNELFKKITTQALOB-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.16
Rot. Bonds4

About N-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide

N-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide (PubChem CID 4685114) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide
PubChem CID4685114
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cccc3cccnc23)cc1F
InChIInChI=1S/C17H15FN2O2S/c1-12-7-8-13(10-15(12)18)11-20-23(21,22)16-6-2-4-14-5-3-9-19-17(14)16/h2-10,20H,11H2,1H3
InChIKeyNELFKKITTQALOB-UHFFFAOYSA-N
XLogP3.16
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]quinolin-8-amine
CID 63647013
N-[(3,4-diethoxyphenyl)methyl]quinoline-8-sulfonamide
CID 22206219
N-(1,3-benzodioxol-5-ylmethyl)quinoline-8-sulfonamide
CID 2056026
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide
CID 3315110
N-butylquinoline-8-sulfonamide
CID 2068304
N-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide
CID 3338850
N-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide
CID 22205174
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]quinoline-8-sulfonamide
CID 121137843
N-(2-phenoxyethyl)quinoline-8-sulfonamide
CID 3776946
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]quinoline-8-sulfonamide
CID 122274274
N-benzyl-3-methylquinoline-8-sulfonamide
CID 33345852

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide (CID 4685114) is N-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide is Cc1ccc(CNS(=O)(=O)c2cccc3cccnc23)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide?
The InChIKey is NELFKKITTQALOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-12-7-8-13(10-15(12)18)11-20-23(21,22)16-6-2-4-14-5-3-9-19-17(14)16/h2-10,20H,11H2,1H3.
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide?
N-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide has a molecular weight of 330.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide is sourced from PubChem (CID 4685114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).