2-fluoro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide

C26H25FN2O3S — CID 1161817

IUPAC2-fluoro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)S(=O)(=O)c3ccccc3F)cc2c1
InChIInChI=1S/C26H25FN2O3S/c1-18-11-12-24-21(15-18)16-22(26(30)28-24)17-29(14-13-20-8-4-3-7-19(20)2)33(31,32)25-10-6-5-9-23(25)27/h3-12,15-16H,13-14,17H2,1-2H3,(H,28,30)
InChIKeyGMBLZELSHRAUAU-UHFFFAOYSA-N
MW464.56 g/mol
LogP4.72
Rot. Bonds7

About 2-fluoro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide

2-fluoro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 1161817) has the molecular formula C26H25FN2O3S and a molecular weight of 464.56 g/mol. Its IUPAC name is 2-fluoro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
PubChem CID1161817
Molecular FormulaC26H25FN2O3S
Molecular Weight464.56 g/mol
Exact Mass464.16
IUPAC Name2-fluoro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)S(=O)(=O)c3ccccc3F)cc2c1
InChIInChI=1S/C26H25FN2O3S/c1-18-11-12-24-21(15-18)16-22(26(30)28-24)17-29(14-13-20-8-4-3-7-19(20)2)33(31,32)25-10-6-5-9-23(25)27/h3-12,15-16H,13-14,17H2,1-2H3,(H,28,30)
InChIKeyGMBLZELSHRAUAU-UHFFFAOYSA-N
XLogP4.72
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide with MolForge

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Related Compounds

2-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide
CID 1161752
4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
CID 1168721
2-fluoro-N-(3-hydroxypropyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 3184113
4-acetyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 1161747
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
methyl 2-[(4-fluorophenyl)methyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
CID 3183872
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide
CID 4903834
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1169994
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 3186097
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-N-[2-(2-methylphenyl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 1170078
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylmethanesulfonamide
CID 666351

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide (CID 1161817) is 2-fluoro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide is Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)S(=O)(=O)c3ccccc3F)cc2c1.
What is the InChIKey of 2-fluoro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is GMBLZELSHRAUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O3S/c1-18-11-12-24-21(15-18)16-22(26(30)28-24)17-29(14-13-20-8-4-3-7-19(20)2)33(31,32)25-10-6-5-9-23(25)27/h3-12,15-16H,13-14,17H2,1-2H3,(H,28,30).
What are the key properties of 2-fluoro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide?
2-fluoro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide has a molecular weight of 464.56 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 1161817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).