N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-nitrobenzenesulfonamide

C17H15N3O6S — CID 110324856

IUPACN-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-nitrobenzenesulfonamide
SMILESCOc1ccc2cc(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(=O)[nH]c2c1
InChIInChI=1S/C17H15N3O6S/c1-26-14-6-5-11-7-12(17(21)19-16(11)9-14)10-18-27(24,25)15-4-2-3-13(8-15)20(22)23/h2-9,18H,10H2,1H3,(H,19,21)
InChIKeyHQJCOEGEYDUNDJ-UHFFFAOYSA-N
MW389.39 g/mol
LogP1.92
Rot. Bonds6

About N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-nitrobenzenesulfonamide

N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-nitrobenzenesulfonamide (PubChem CID 110324856) has the molecular formula C17H15N3O6S and a molecular weight of 389.39 g/mol. Its IUPAC name is N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-nitrobenzenesulfonamide
PubChem CID110324856
Molecular FormulaC17H15N3O6S
Molecular Weight389.39 g/mol
Exact Mass389.07
IUPAC NameN-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-nitrobenzenesulfonamide
SMILESCOc1ccc2cc(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(=O)[nH]c2c1
InChIInChI=1S/C17H15N3O6S/c1-26-14-6-5-11-7-12(17(21)19-16(11)9-14)10-18-27(24,25)15-4-2-3-13(8-15)20(22)23/h2-9,18H,10H2,1H3,(H,19,21)
InChIKeyHQJCOEGEYDUNDJ-UHFFFAOYSA-N
XLogP1.92
TPSA131.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzenesulfonamide
CID 110325883
3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324619
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzamide
CID 5050311
N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzenesulfonamide
CID 2900733
4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324686
N-[(2-methoxy-5-methylphenyl)methyl]-3-nitrobenzenesulfonamide
CID 110779880
1-(4-fluorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 110324844
4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324590
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-nitro-N-propylbenzamide
CID 4020279
4-ethoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324639
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxybenzenesulfonamide
CID 110325519
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-nitrobenzenesulfonamide
CID 110730468

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-nitrobenzenesulfonamide?
The IUPAC name of N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-nitrobenzenesulfonamide (CID 110324856) is N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-nitrobenzenesulfonamide?
The canonical SMILES for N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-nitrobenzenesulfonamide is COc1ccc2cc(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(=O)[nH]c2c1.
What is the InChIKey of N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-nitrobenzenesulfonamide?
The InChIKey is HQJCOEGEYDUNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O6S/c1-26-14-6-5-11-7-12(17(21)19-16(11)9-14)10-18-27(24,25)15-4-2-3-13(8-15)20(22)23/h2-9,18H,10H2,1H3,(H,19,21).
What are the key properties of N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-nitrobenzenesulfonamide?
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-nitrobenzenesulfonamide has a molecular weight of 389.39 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-nitrobenzenesulfonamide is sourced from PubChem (CID 110324856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).