N-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide

C17H15FN2O2S — CID 31046482

IUPACN-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc3cc(C)cnc23)c(F)c1
InChIInChI=1S/C17H15FN2O2S/c1-11-6-7-15(14(18)9-11)20-23(21,22)16-5-3-4-13-8-12(2)10-19-17(13)16/h3-10,20H,1-2H3
InChIKeyXKZVKSIOEFWMOF-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.79
Rot. Bonds3

About N-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide

N-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide (PubChem CID 31046482) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
PubChem CID31046482
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC NameN-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc3cc(C)cnc23)c(F)c1
InChIInChI=1S/C17H15FN2O2S/c1-11-6-7-15(14(18)9-11)20-23(21,22)16-5-3-4-13-8-12(2)10-19-17(13)16/h3-10,20H,1-2H3
InChIKeyXKZVKSIOEFWMOF-UHFFFAOYSA-N
XLogP3.79
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-fluoro-4-methylphenyl)-3-methylquinoline-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-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046311
3-methyl-N-(2,3,4-trifluorophenyl)quinoline-8-sulfonamide
CID 25333424
N-(3-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046446
N-(2-methoxy-3-pyridinyl)-3-methylquinoline-8-sulfonamide
CID 47038312
N-(4-fluoro-3-nitrophenyl)-3-methylquinoline-8-sulfonamide
CID 31046434
N-(5-bromo-2-methoxyphenyl)-3-methylquinoline-8-sulfonamide
CID 60533343
N-(2-fluoro-4-iodophenyl)quinoline-8-sulfonamide
CID 5007550
N-(4-methoxyphenyl)-3-methylquinoline-8-sulfonamide
CID 31046324
N-(3-iodophenyl)-3-methylquinoline-8-sulfonamide
CID 31690873
3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
N-(2,4-dimethylphenyl)quinoline-8-sulfonamide
CID 4067742
N-(2-fluoro-4-methylphenyl)-2-hydroxybenzenesulfonamide
CID 81241392

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide (CID 31046482) is N-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide is Cc1ccc(NS(=O)(=O)c2cccc3cc(C)cnc23)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide?
The InChIKey is XKZVKSIOEFWMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-11-6-7-15(14(18)9-11)20-23(21,22)16-5-3-4-13-8-12(2)10-19-17(13)16/h3-10,20H,1-2H3.
What are the key properties of N-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide?
N-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide has a molecular weight of 330.38 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide is sourced from PubChem (CID 31046482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).