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

C24H21ClN2O4S — CID 4900839

IUPAC4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)benzenesulfonamide
SMILESCOc1ccc2[nH]c(=O)c(CN(c3ccccc3C)S(=O)(=O)c3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C24H21ClN2O4S/c1-16-5-3-4-6-23(16)27(32(29,30)21-10-7-19(25)8-11-21)15-18-13-17-14-20(31-2)9-12-22(17)26-24(18)28/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyHTLIWOOXYFUYMJ-UHFFFAOYSA-N
MW468.96 g/mol
LogP4.89
Rot. Bonds6

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

4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 4900839) has the molecular formula C24H21ClN2O4S and a molecular weight of 468.96 g/mol. Its IUPAC name is 4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)benzenesulfonamide
PubChem CID4900839
Molecular FormulaC24H21ClN2O4S
Molecular Weight468.96 g/mol
Exact Mass468.09
IUPAC Name4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)benzenesulfonamide
SMILESCOc1ccc2[nH]c(=O)c(CN(c3ccccc3C)S(=O)(=O)c3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C24H21ClN2O4S/c1-16-5-3-4-6-23(16)27(32(29,30)21-10-7-19(25)8-11-21)15-18-13-17-14-20(31-2)9-12-22(17)26-24(18)28/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyHTLIWOOXYFUYMJ-UHFFFAOYSA-N
XLogP4.89
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.96
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 4906587
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-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-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
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3185987
N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1168875
N-[(2-chlorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1459093
2-fluoro-N-(3-hydroxypropyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 3184113
3-benzyl-1-[(4-chlorophenyl)methyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1430688

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)benzenesulfonamide (CID 4900839) is 4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)benzenesulfonamide is COc1ccc2[nH]c(=O)c(CN(c3ccccc3C)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-methylphenyl)benzenesulfonamide?
The InChIKey is HTLIWOOXYFUYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O4S/c1-16-5-3-4-6-23(16)27(32(29,30)21-10-7-19(25)8-11-21)15-18-13-17-14-20(31-2)9-12-22(17)26-24(18)28/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-methylphenyl)benzenesulfonamide?
4-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 468.96 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 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-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 4900839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).