N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide

C24H22FN3O3S — CID 1146854

IUPACN-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)c2cc(CN(Cc3cccnc3)S(=O)(=O)c3ccccc3F)c(=O)[nH]c2c1
InChIInChI=1S/C24H22FN3O3S/c1-16-10-17(2)20-12-19(24(29)27-22(20)11-16)15-28(14-18-6-5-9-26-13-18)32(30,31)23-8-4-3-7-21(23)25/h3-13H,14-15H2,1-2H3,(H,27,29)
InChIKeyLEQPAUUYYARAEV-UHFFFAOYSA-N
MW451.52 g/mol
LogP4.07
Rot. Bonds6

About N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide

N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 1146854) has the molecular formula C24H22FN3O3S and a molecular weight of 451.52 g/mol. Its IUPAC name is N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID1146854
Molecular FormulaC24H22FN3O3S
Molecular Weight451.52 g/mol
Exact Mass451.14
IUPAC NameN-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)c2cc(CN(Cc3cccnc3)S(=O)(=O)c3ccccc3F)c(=O)[nH]c2c1
InChIInChI=1S/C24H22FN3O3S/c1-16-10-17(2)20-12-19(24(29)27-22(20)11-16)15-28(14-18-6-5-9-26-13-18)32(30,31)23-8-4-3-7-21(23)25/h3-13H,14-15H2,1-2H3,(H,27,29)
InChIKeyLEQPAUUYYARAEV-UHFFFAOYSA-N
XLogP4.07
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide with MolForge

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Related Compounds

2-chloro-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1146857
1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)-1-(pyridin-3-ylmethyl)urea
CID 1462566
N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1161839
2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1168813
2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1164942
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 4911896
5-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 1170069
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
2-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide
CID 1161752
N-benzyl-2-fluoro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1164875
3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3203284
5,7-dimethyl-3-[[[(1S)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 1465085

Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 1146854) is N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide is Cc1cc(C)c2cc(CN(Cc3cccnc3)S(=O)(=O)c3ccccc3F)c(=O)[nH]c2c1.
What is the InChIKey of N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is LEQPAUUYYARAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3S/c1-16-10-17(2)20-12-19(24(29)27-22(20)11-16)15-28(14-18-6-5-9-26-13-18)32(30,31)23-8-4-3-7-21(23)25/h3-13H,14-15H2,1-2H3,(H,27,29).
What are the key properties of N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 451.52 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 1146854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).