3-methyl-N-(2,3,4-trifluorophenyl)quinoline-8-sulfonamide

C16H11F3N2O2S — CID 25333424

IUPAC3-methyl-N-(2,3,4-trifluorophenyl)quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)Nc3ccc(F)c(F)c3F)cccc2c1
InChIInChI=1S/C16H11F3N2O2S/c1-9-7-10-3-2-4-13(16(10)20-8-9)24(22,23)21-12-6-5-11(17)14(18)15(12)19/h2-8,21H,1H3
InChIKeyWNPKKYJFWMDWLA-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.76
Rot. Bonds3

About 3-methyl-N-(2,3,4-trifluorophenyl)quinoline-8-sulfonamide

3-methyl-N-(2,3,4-trifluorophenyl)quinoline-8-sulfonamide (PubChem CID 25333424) has the molecular formula C16H11F3N2O2S and a molecular weight of 352.34 g/mol. Its IUPAC name is 3-methyl-N-(2,3,4-trifluorophenyl)quinoline-8-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(2,3,4-trifluorophenyl)quinoline-8-sulfonamide
PubChem CID25333424
Molecular FormulaC16H11F3N2O2S
Molecular Weight352.34 g/mol
Exact Mass352.05
IUPAC Name3-methyl-N-(2,3,4-trifluorophenyl)quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)Nc3ccc(F)c(F)c3F)cccc2c1
InChIInChI=1S/C16H11F3N2O2S/c1-9-7-10-3-2-4-13(16(10)20-8-9)24(22,23)21-12-6-5-11(17)14(18)15(12)19/h2-8,21H,1H3
InChIKeyWNPKKYJFWMDWLA-UHFFFAOYSA-N
XLogP3.76
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046482
N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046311
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-(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-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide
CID 31670142
3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]quinoline-8-sulfonamide
CID 31046790
2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 8500544

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,3,4-trifluorophenyl)quinoline-8-sulfonamide?
The IUPAC name of 3-methyl-N-(2,3,4-trifluorophenyl)quinoline-8-sulfonamide (CID 25333424) is 3-methyl-N-(2,3,4-trifluorophenyl)quinoline-8-sulfonamide.
What is the SMILES notation for 3-methyl-N-(2,3,4-trifluorophenyl)quinoline-8-sulfonamide?
The canonical SMILES for 3-methyl-N-(2,3,4-trifluorophenyl)quinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)Nc3ccc(F)c(F)c3F)cccc2c1.
What is the InChIKey of 3-methyl-N-(2,3,4-trifluorophenyl)quinoline-8-sulfonamide?
The InChIKey is WNPKKYJFWMDWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S/c1-9-7-10-3-2-4-13(16(10)20-8-9)24(22,23)21-12-6-5-11(17)14(18)15(12)19/h2-8,21H,1H3.
What are the key properties of 3-methyl-N-(2,3,4-trifluorophenyl)quinoline-8-sulfonamide?
3-methyl-N-(2,3,4-trifluorophenyl)quinoline-8-sulfonamide has a molecular weight of 352.34 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,3,4-trifluorophenyl)quinoline-8-sulfonamide is sourced from PubChem (CID 25333424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).