2,4-dimethoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

C19H20N2O5S — CID 110324463

IUPAC2,4-dimethoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cc3cccc(C)c3[nH]c2=O)c(OC)c1
InChIInChI=1S/C19H20N2O5S/c1-12-5-4-6-13-9-14(19(22)21-18(12)13)11-20-27(23,24)17-8-7-15(25-2)10-16(17)26-3/h4-10,20H,11H2,1-3H3,(H,21,22)
InChIKeyYNGOINAJMCCZQC-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.33
Rot. Bonds6

About 2,4-dimethoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

2,4-dimethoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (PubChem CID 110324463) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
PubChem CID110324463
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name2,4-dimethoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cc3cccc(C)c3[nH]c2=O)c(OC)c1
InChIInChI=1S/C19H20N2O5S/c1-12-5-4-6-13-9-14(19(22)21-18(12)13)11-20-27(23,24)17-8-7-15(25-2)10-16(17)26-3/h4-10,20H,11H2,1-3H3,(H,21,22)
InChIKeyYNGOINAJMCCZQC-UHFFFAOYSA-N
XLogP2.33
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324455
4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylbenzenesulfonamide
CID 110324955
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
3-[(2,4-dimethoxyanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 25318836
N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 110780745
2,4-dimethoxy-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 110322786
N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 90536208
8-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 23009265
2,4-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61021419
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110325332
3-methoxy-8-methyl-1H-quinolin-2-one
CID 151998755

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (CID 110324463) is 2,4-dimethoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2cc3cccc(C)c3[nH]c2=O)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The InChIKey is YNGOINAJMCCZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-12-5-4-6-13-9-14(19(22)21-18(12)13)11-20-27(23,24)17-8-7-15(25-2)10-16(17)26-3/h4-10,20H,11H2,1-3H3,(H,21,22).
What are the key properties of 2,4-dimethoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
2,4-dimethoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide has a molecular weight of 388.45 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110324463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).