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

C23H20ClN3O4S — CID 1164942

IUPAC2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)S(=O)(=O)c3ccccc3Cl)cc2c1
InChIInChI=1S/C23H20ClN3O4S/c1-31-19-8-9-21-17(12-19)11-18(23(28)26-21)15-27(14-16-5-4-10-25-13-16)32(29,30)22-7-3-2-6-20(22)24/h2-13H,14-15H2,1H3,(H,26,28)
InChIKeyZYNKUCMXBVLRFD-UHFFFAOYSA-N
MW469.95 g/mol
LogP3.98
Rot. Bonds7

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

2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 1164942) has the molecular formula C23H20ClN3O4S and a molecular weight of 469.95 g/mol. Its IUPAC name is 2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID1164942
Molecular FormulaC23H20ClN3O4S
Molecular Weight469.95 g/mol
Exact Mass469.09
IUPAC Name2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)S(=O)(=O)c3ccccc3Cl)cc2c1
InChIInChI=1S/C23H20ClN3O4S/c1-31-19-8-9-21-17(12-19)11-18(23(28)26-21)15-27(14-16-5-4-10-25-13-16)32(29,30)22-7-3-2-6-20(22)24/h2-13H,14-15H2,1H3,(H,26,28)
InChIKeyZYNKUCMXBVLRFD-UHFFFAOYSA-N
XLogP3.98
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide with MolForge

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Related Compounds

N-benzyl-2-fluoro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1164875
2-chloro-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1146857
2-fluoro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 1165045
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1165237
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 4911896
N-(1,3-benzodioxol-5-ylmethyl)-2-fluoro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1164989
2-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360581
3-[[(1-benzyltetrazol-5-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 1171642
N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1161839
2-fluoro-N-(3-hydroxypropyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 3184113
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]-2-nitrobenzenesulfonamide
CID 1165257
3-(2-methoxyethyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea
CID 3172269

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 1164942) is 2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide is COc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)S(=O)(=O)c3ccccc3Cl)cc2c1.
What is the InChIKey of 2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is ZYNKUCMXBVLRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4S/c1-31-19-8-9-21-17(12-19)11-18(23(28)26-21)15-27(14-16-5-4-10-25-13-16)32(29,30)22-7-3-2-6-20(22)24/h2-13H,14-15H2,1H3,(H,26,28).
What are the key properties of 2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 469.95 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 1164942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).