3-chloro-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide

C24H22ClN3O3S — CID 1161490

IUPAC3-chloro-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3cccc(C)c3[nH]c2=O)cc1Cl
InChIInChI=1S/C24H22ClN3O3S/c1-16-8-9-21(12-22(16)25)32(30,31)28(14-18-6-4-10-26-13-18)15-20-11-19-7-3-5-17(2)23(19)27-24(20)29/h3-13H,14-15H2,1-2H3,(H,27,29)
InChIKeyYRWJBBOSPCLMDS-UHFFFAOYSA-N
MW467.98 g/mol
LogP4.58
Rot. Bonds6

About 3-chloro-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide

3-chloro-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 1161490) has the molecular formula C24H22ClN3O3S and a molecular weight of 467.98 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID1161490
Molecular FormulaC24H22ClN3O3S
Molecular Weight467.98 g/mol
Exact Mass467.11
IUPAC Name3-chloro-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3cccc(C)c3[nH]c2=O)cc1Cl
InChIInChI=1S/C24H22ClN3O3S/c1-16-8-9-21(12-22(16)25)32(30,31)28(14-18-6-4-10-26-13-18)15-20-11-19-7-3-5-17(2)23(19)27-24(20)29/h3-13H,14-15H2,1-2H3,(H,27,29)
InChIKeyYRWJBBOSPCLMDS-UHFFFAOYSA-N
XLogP4.58
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.98
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1168813
methyl 3-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]benzoate
CID 23959129
ethyl 4-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]benzoate
CID 1161973
3-acetyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 4713899
1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea
CID 1138005
3-chloro-4-(difluoromethoxy)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 55987865
2-chloro-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1146857
N-[(4-methoxyphenyl)methyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 1161532
4-fluoro-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1165698
N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1161839
2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1164942
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1169987

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 1161490) is 3-chloro-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3cccc(C)c3[nH]c2=O)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is YRWJBBOSPCLMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3S/c1-16-8-9-21(12-22(16)25)32(30,31)28(14-18-6-4-10-26-13-18)15-20-11-19-7-3-5-17(2)23(19)27-24(20)29/h3-13H,14-15H2,1-2H3,(H,27,29).
What are the key properties of 3-chloro-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
3-chloro-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 467.98 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 1161490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).