N-[(2-oxo-1-phenyl-3,4-dihydroquinolin-6-yl)methyl]benzenesulfonamide

C22H20N2O3S — CID 122456073

IUPACN-[(2-oxo-1-phenyl-3,4-dihydroquinolin-6-yl)methyl]benzenesulfonamide
SMILESO=C1CCc2cc(CNS(=O)(=O)c3ccccc3)ccc2N1c1ccccc1
InChIInChI=1S/C22H20N2O3S/c25-22-14-12-18-15-17(16-23-28(26,27)20-9-5-2-6-10-20)11-13-21(18)24(22)19-7-3-1-4-8-19/h1-11,13,15,23H,12,14,16H2
InChIKeyYYYRKKOHCAFOKD-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.78
Rot. Bonds5

About N-[(2-oxo-1-phenyl-3,4-dihydroquinolin-6-yl)methyl]benzenesulfonamide

N-[(2-oxo-1-phenyl-3,4-dihydroquinolin-6-yl)methyl]benzenesulfonamide (PubChem CID 122456073) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[(2-oxo-1-phenyl-3,4-dihydroquinolin-6-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-oxo-1-phenyl-3,4-dihydroquinolin-6-yl)methyl]benzenesulfonamide
PubChem CID122456073
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC NameN-[(2-oxo-1-phenyl-3,4-dihydroquinolin-6-yl)methyl]benzenesulfonamide
SMILESO=C1CCc2cc(CNS(=O)(=O)c3ccccc3)ccc2N1c1ccccc1
InChIInChI=1S/C22H20N2O3S/c25-22-14-12-18-15-17(16-23-28(26,27)20-9-5-2-6-10-20)11-13-21(18)24(22)19-7-3-1-4-8-19/h1-11,13,15,23H,12,14,16H2
InChIKeyYYYRKKOHCAFOKD-UHFFFAOYSA-N
XLogP3.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1-phenyl-3,4-dihydroquinolin-6-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(2-oxo-1-phenyl-3,4-dihydroquinolin-6-yl)methyl]benzenesulfonamide (CID 122456073) is N-[(2-oxo-1-phenyl-3,4-dihydroquinolin-6-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(2-oxo-1-phenyl-3,4-dihydroquinolin-6-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(2-oxo-1-phenyl-3,4-dihydroquinolin-6-yl)methyl]benzenesulfonamide is O=C1CCc2cc(CNS(=O)(=O)c3ccccc3)ccc2N1c1ccccc1.
What is the InChIKey of N-[(2-oxo-1-phenyl-3,4-dihydroquinolin-6-yl)methyl]benzenesulfonamide?
The InChIKey is YYYRKKOHCAFOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c25-22-14-12-18-15-17(16-23-28(26,27)20-9-5-2-6-10-20)11-13-21(18)24(22)19-7-3-1-4-8-19/h1-11,13,15,23H,12,14,16H2.
What are the key properties of N-[(2-oxo-1-phenyl-3,4-dihydroquinolin-6-yl)methyl]benzenesulfonamide?
N-[(2-oxo-1-phenyl-3,4-dihydroquinolin-6-yl)methyl]benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-1-phenyl-3,4-dihydroquinolin-6-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122456073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).