N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-nitrobenzenesulfonamide

C22H19N3O5S — CID 16927385

IUPACN-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-nitrobenzenesulfonamide
SMILESO=C1CCc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2N1Cc1ccccc1
InChIInChI=1S/C22H19N3O5S/c26-22-13-6-17-14-18(7-12-21(17)24(22)15-16-4-2-1-3-5-16)23-31(29,30)20-10-8-19(9-11-20)25(27)28/h1-5,7-12,14,23H,6,13,15H2
InChIKeyRXLZOPHZPOTURP-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.88
Rot. Bonds6

About N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-nitrobenzenesulfonamide

N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-nitrobenzenesulfonamide (PubChem CID 16927385) has the molecular formula C22H19N3O5S and a molecular weight of 437.48 g/mol. Its IUPAC name is N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-nitrobenzenesulfonamide
PubChem CID16927385
Molecular FormulaC22H19N3O5S
Molecular Weight437.48 g/mol
Exact Mass437.10
IUPAC NameN-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-nitrobenzenesulfonamide
SMILESO=C1CCc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2N1Cc1ccccc1
InChIInChI=1S/C22H19N3O5S/c26-22-13-6-17-14-18(7-12-21(17)24(22)15-16-4-2-1-3-5-16)23-31(29,30)20-10-8-19(9-11-20)25(27)28/h1-5,7-12,14,23H,6,13,15H2
InChIKeyRXLZOPHZPOTURP-UHFFFAOYSA-N
XLogP3.88
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide
CID 16927387
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 16927386
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-chlorothiophene-2-sulfonamide
CID 16927394
4-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927551
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propylbenzenesulfonamide
CID 20933642
1-ethyl-6-(4-nitroanilino)-3,4-dihydroquinolin-2-one
CID 133459327
4-bromo-N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927461
N-(3-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide
CID 16644480
1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea
CID 30376488
3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927292
4-[3-[6-(benzenesulfonamido)-2-oxo-3,4-dihydroquinolin-1-yl]propyl]benzenecarboximidamide
CID 18366884
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,3-dimethylbutanamide
CID 16926905

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-nitrobenzenesulfonamide?
The IUPAC name of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-nitrobenzenesulfonamide (CID 16927385) is N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-nitrobenzenesulfonamide is O=C1CCc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2N1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-nitrobenzenesulfonamide?
The InChIKey is RXLZOPHZPOTURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5S/c26-22-13-6-17-14-18(7-12-21(17)24(22)15-16-4-2-1-3-5-16)23-31(29,30)20-10-8-19(9-11-20)25(27)28/h1-5,7-12,14,23H,6,13,15H2.
What are the key properties of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-nitrobenzenesulfonamide?
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-nitrobenzenesulfonamide has a molecular weight of 437.48 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 16927385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).