copper bis((4-nitrophenyl)sulfonyl-quinolin-8-ylazanide)

C30H20CuN6O8S2 — CID 139069114

IUPACcopper bis((4-nitrophenyl)sulfonyl-quinolin-8-ylazanide)
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3cccnc23)cc1.O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3cccnc23)cc1.[Cu+2]
InChIInChI=1S/2C15H10N3O4S.Cu/c2*19-18(20)12-6-8-13(9-7-12)23(21,22)17-14-5-1-3-11-4-2-10-16-15(11)14;/h2*1-10H;/q2*-1;+2
InChIKeyGEXMFCNTQTYIEO-UHFFFAOYSA-N
MW720.20 g/mol
LogP7.07
Rot. Bonds8

About copper bis((4-nitrophenyl)sulfonyl-quinolin-8-ylazanide)

copper bis((4-nitrophenyl)sulfonyl-quinolin-8-ylazanide) (PubChem CID 139069114) has the molecular formula C30H20CuN6O8S2 and a molecular weight of 720.20 g/mol. Its IUPAC name is copper bis((4-nitrophenyl)sulfonyl-quinolin-8-ylazanide).

Molecular Properties

Compound Namecopper bis((4-nitrophenyl)sulfonyl-quinolin-8-ylazanide)
PubChem CID139069114
Molecular FormulaC30H20CuN6O8S2
Molecular Weight720.20 g/mol
Exact Mass719.01
IUPAC Namecopper bis((4-nitrophenyl)sulfonyl-quinolin-8-ylazanide)
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3cccnc23)cc1.O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3cccnc23)cc1.[Cu+2]
InChIInChI=1S/2C15H10N3O4S.Cu/c2*19-18(20)12-6-8-13(9-7-12)23(21,22)17-14-5-1-3-11-4-2-10-16-15(11)14;/h2*1-10H;/q2*-1;+2
InChIKeyGEXMFCNTQTYIEO-UHFFFAOYSA-N
XLogP7.07
TPSA208.54 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.20
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze copper bis((4-nitrophenyl)sulfonyl-quinolin-8-ylazanide) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;bis(benzo[h]quinolin-10-yl-(4-nitrophenyl)sulfonylazanide);chloropalladium(1+);ethanone;oxosilver;palladium;bis(pyridine)
CID 160779007
naphthalen-1-ylsulfonyl(quinolin-8-yl)azanide;zinc
CID 22974317
methylsulfonyl(quinolin-8-yl)azanide
CID 25244687
benzo[h]quinolin-10-yl-(2,4-dinitrophenyl)sulfonylazanide;carbanide;palladium(2+);pyridine
CID 58174438
copper;bis(1,10-phenanthroline);dinitrate;hydrate
CID 15478309
N-(4-nitrophenyl)sulfanylquinolin-8-amine
CID 142610178
8-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]quinoline
CID 31864845
6,8-dinitroquinoline
CID 11106850
4-nitro-2-(quinolin-8-yliminomethyl)phenolate
CID 2223529
4-nitro-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide
CID 90579918
5-nitro-N-quinolin-8-ylpyridine-3-sulfonamide
CID 166208269
lead(2+);bis(1,10-phenanthroline);dinitrate
CID 139206065

Frequently Asked Questions

What is the IUPAC name of copper bis((4-nitrophenyl)sulfonyl-quinolin-8-ylazanide)?
The IUPAC name of copper bis((4-nitrophenyl)sulfonyl-quinolin-8-ylazanide) (CID 139069114) is copper bis((4-nitrophenyl)sulfonyl-quinolin-8-ylazanide).
What is the SMILES notation for copper bis((4-nitrophenyl)sulfonyl-quinolin-8-ylazanide)?
The canonical SMILES for copper bis((4-nitrophenyl)sulfonyl-quinolin-8-ylazanide) is O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3cccnc23)cc1.O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3cccnc23)cc1.[Cu+2].
What is the InChIKey of copper bis((4-nitrophenyl)sulfonyl-quinolin-8-ylazanide)?
The InChIKey is GEXMFCNTQTYIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H10N3O4S.Cu/c2*19-18(20)12-6-8-13(9-7-12)23(21,22)17-14-5-1-3-11-4-2-10-16-15(11)14;/h2*1-10H;/q2*-1;+2.
What are the key properties of copper bis((4-nitrophenyl)sulfonyl-quinolin-8-ylazanide)?
copper bis((4-nitrophenyl)sulfonyl-quinolin-8-ylazanide) has a molecular weight of 720.20 g/mol, XLogP of 7.07, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis((4-nitrophenyl)sulfonyl-quinolin-8-ylazanide) is sourced from PubChem (CID 139069114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).