8-fluoro-N-(2-methoxy-4-methylphenyl)quinoline-5-sulfonamide

C17H15FN2O3S — CID 60534314

IUPAC8-fluoro-N-(2-methoxy-4-methylphenyl)quinoline-5-sulfonamide
SMILESCOc1cc(C)ccc1NS(=O)(=O)c1ccc(F)c2ncccc12
InChIInChI=1S/C17H15FN2O3S/c1-11-5-7-14(15(10-11)23-2)20-24(21,22)16-8-6-13(18)17-12(16)4-3-9-19-17/h3-10,20H,1-2H3
InChIKeyYMIUVQUIRYVONR-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.49
Rot. Bonds4

About 8-fluoro-N-(2-methoxy-4-methylphenyl)quinoline-5-sulfonamide

8-fluoro-N-(2-methoxy-4-methylphenyl)quinoline-5-sulfonamide (PubChem CID 60534314) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is 8-fluoro-N-(2-methoxy-4-methylphenyl)quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-fluoro-N-(2-methoxy-4-methylphenyl)quinoline-5-sulfonamide
PubChem CID60534314
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC Name8-fluoro-N-(2-methoxy-4-methylphenyl)quinoline-5-sulfonamide
SMILESCOc1cc(C)ccc1NS(=O)(=O)c1ccc(F)c2ncccc12
InChIInChI=1S/C17H15FN2O3S/c1-11-5-7-14(15(10-11)23-2)20-24(21,22)16-8-6-13(18)17-12(16)4-3-9-19-17/h3-10,20H,1-2H3
InChIKeyYMIUVQUIRYVONR-UHFFFAOYSA-N
XLogP3.49
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-fluoro-N-(4-methoxyphenyl)quinoline-5-sulfonamide
CID 31914288
5-fluoro-2-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid
CID 55676538
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-8-fluoroquinoline-5-sulfonamide
CID 60532006
N-[4-[(8-methoxyquinolin-5-yl)sulfonylamino]-2-methylphenyl]acetamide
CID 166187188
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 8514842
8-fluoro-N-(1-methylpyrazol-3-yl)quinoline-5-sulfonamide
CID 31914993
N-(5-chloro-2-methylphenyl)-8-ethoxyquinoline-5-sulfonamide
CID 15998973
8-methoxy-N-(4-methoxyphenyl)quinoline-5-sulfonamide
CID 729403
8-fluoro-N-[3-(trifluoromethyl)phenyl]quinoline-5-sulfonamide
CID 39824401
2-ethoxy-4-methyl-N-quinolin-8-ylbenzenesulfonamide
CID 76506701
3-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid
CID 39824436
N-(2-fluoro-5-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62143202

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(2-methoxy-4-methylphenyl)quinoline-5-sulfonamide?
The IUPAC name of 8-fluoro-N-(2-methoxy-4-methylphenyl)quinoline-5-sulfonamide (CID 60534314) is 8-fluoro-N-(2-methoxy-4-methylphenyl)quinoline-5-sulfonamide.
What is the SMILES notation for 8-fluoro-N-(2-methoxy-4-methylphenyl)quinoline-5-sulfonamide?
The canonical SMILES for 8-fluoro-N-(2-methoxy-4-methylphenyl)quinoline-5-sulfonamide is COc1cc(C)ccc1NS(=O)(=O)c1ccc(F)c2ncccc12.
What is the InChIKey of 8-fluoro-N-(2-methoxy-4-methylphenyl)quinoline-5-sulfonamide?
The InChIKey is YMIUVQUIRYVONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c1-11-5-7-14(15(10-11)23-2)20-24(21,22)16-8-6-13(18)17-12(16)4-3-9-19-17/h3-10,20H,1-2H3.
What are the key properties of 8-fluoro-N-(2-methoxy-4-methylphenyl)quinoline-5-sulfonamide?
8-fluoro-N-(2-methoxy-4-methylphenyl)quinoline-5-sulfonamide has a molecular weight of 346.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(2-methoxy-4-methylphenyl)quinoline-5-sulfonamide is sourced from PubChem (CID 60534314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).