4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)benzenesulfonamide

C24H21ClN2O5S — CID 4906587

IUPAC4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc2[nH]c(=O)c(CN(c3ccccc3OC)S(=O)(=O)c3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C24H21ClN2O5S/c1-31-19-9-12-21-16(14-19)13-17(24(28)26-21)15-27(22-5-3-4-6-23(22)32-2)33(29,30)20-10-7-18(25)8-11-20/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyYIDDHRQDWCJRAA-UHFFFAOYSA-N
MW484.96 g/mol
LogP4.59
Rot. Bonds7

About 4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)benzenesulfonamide

4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 4906587) has the molecular formula C24H21ClN2O5S and a molecular weight of 484.96 g/mol. Its IUPAC name is 4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID4906587
Molecular FormulaC24H21ClN2O5S
Molecular Weight484.96 g/mol
Exact Mass484.09
IUPAC Name4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc2[nH]c(=O)c(CN(c3ccccc3OC)S(=O)(=O)c3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C24H21ClN2O5S/c1-31-19-9-12-21-16(14-19)13-17(24(28)26-21)15-27(22-5-3-4-6-23(22)32-2)33(29,30)20-10-7-18(25)8-11-20/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyYIDDHRQDWCJRAA-UHFFFAOYSA-N
XLogP4.59
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.96
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)benzenesulfonamide
CID 4900839
4-chloro-N-cyclohexyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1169194
N-(4-ethoxyphenyl)-4-fluoro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 4903642
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)butanamide
CID 3157383
N-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 2028486
N-(furan-2-ylmethyl)-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1164892
2-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide
CID 1427730
2-fluoro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 1165045
N-benzyl-2-fluoro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1164875
4-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 1165373
N-[(2-chlorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1459093
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 29284468

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)benzenesulfonamide (CID 4906587) is 4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)benzenesulfonamide is COc1ccc2[nH]c(=O)c(CN(c3ccccc3OC)S(=O)(=O)c3ccc(Cl)cc3)cc2c1.
What is the InChIKey of 4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is YIDDHRQDWCJRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O5S/c1-31-19-9-12-21-16(14-19)13-17(24(28)26-21)15-27(22-5-3-4-6-23(22)32-2)33(29,30)20-10-7-18(25)8-11-20/h3-14H,15H2,1-2H3,(H,26,28).
What are the key properties of 4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)benzenesulfonamide?
4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 484.96 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 4906587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).