copper bis(2-(pyridin-2-ylmethylideneamino)benzenesulfonate)

C24H18CuN4O6S2 — CID 139077452

IUPACcopper bis(2-(pyridin-2-ylmethylideneamino)benzenesulfonate)
SMILESO=S(=O)([O-])c1ccccc1/N=C/c1ccccn1.O=S(=O)([O-])c1ccccc1/N=C/c1ccccn1.[Cu+2]
InChIInChI=1S/2C12H10N2O3S.Cu/c2*15-18(16,17)12-7-2-1-6-11(12)14-9-10-5-3-4-8-13-10;/h2*1-9H,(H,15,16,17);/q;;+2/p-2/b2*14-9+;
InChIKeyCUFZGZSBRFKMTB-ZNVPEIAMSA-L
MW586.11 g/mol
LogP3.47
Rot. Bonds6

About copper bis(2-(pyridin-2-ylmethylideneamino)benzenesulfonate)

copper bis(2-(pyridin-2-ylmethylideneamino)benzenesulfonate) (PubChem CID 139077452) has the molecular formula C24H18CuN4O6S2 and a molecular weight of 586.11 g/mol. Its IUPAC name is copper bis(2-(pyridin-2-ylmethylideneamino)benzenesulfonate).

Molecular Properties

Compound Namecopper bis(2-(pyridin-2-ylmethylideneamino)benzenesulfonate)
PubChem CID139077452
Molecular FormulaC24H18CuN4O6S2
Molecular Weight586.11 g/mol
Exact Mass585.00
IUPAC Namecopper bis(2-(pyridin-2-ylmethylideneamino)benzenesulfonate)
SMILESO=S(=O)([O-])c1ccccc1/N=C/c1ccccn1.O=S(=O)([O-])c1ccccc1/N=C/c1ccccn1.[Cu+2]
InChIInChI=1S/2C12H10N2O3S.Cu/c2*15-18(16,17)12-7-2-1-6-11(12)14-9-10-5-3-4-8-13-10;/h2*1-9H,(H,15,16,17);/q;;+2/p-2/b2*14-9+;
InChIKeyCUFZGZSBRFKMTB-ZNVPEIAMSA-L
XLogP3.47
TPSA164.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.11
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Dicopper;dioxidanium;bis(5-methyl-2-(pyridin-2-ylmethylideneamino)benzenesulfonate);bis(trifluoromethanesulfonate)
CID 168345758
Bis[2-(2-pyridylmethyleneamino)benzenesulfonato-kappa^3^N,N',O]zinc(II) dihydrate
CID 139075247
Bis[2-(2-pyridylmethyleneamino)benzenesulfonato-kappa^3^N,N',O]cadmium(II) dihydrate
CID 139075561
Bis[2-(2-pyridylmethyleneamino)benzenesulfonato-kappa^3^N,N',O]cobalt(II) dihydrate
CID 139077789
Bis(pyridine-kappaN){N^2^,N^2'^-[1,1'-(pyridine-2,6-diyl)diethylidyne]benzenesulfonohydrazonato-kappa^5^O,N,N',N'',O'}nickel(II)
CID 139078343
Dicopper;bis(2-(pyridin-2-ylmethylideneamino)benzenesulfonate);diisothiocyanate
CID 139176968
Sodium 2,5-bis(pyridin-2-ylmethylideneamino)benzenesulfonate
CID 139238907
Sodium 2,5-bis(1-pyridin-2-ylethylideneamino)benzenesulfonate
CID 139238909
Bis[2-(2-pyridylmethyleneamino)benzenesulfonato-\ kappa^3^N,N',O]manganese(II) dihydrate
CID 168309719
Diaquabis{4-[(pyridin-2-yl)methylideneamino]benzenesulfonato-kappa^2^N,N'}nickel(II) tetrahydrate
CID 168310210
Copper;oxidanium;bis(4-(pyridin-2-ylmethylideneamino)benzenesulfonate);trihydrate
CID 168344249
Copper;bis(5-methyl-2-(pyridin-2-ylmethylideneamino)benzenesulfonate);hydrate
CID 168345757

Frequently Asked Questions

What is the IUPAC name of copper bis(2-(pyridin-2-ylmethylideneamino)benzenesulfonate)?
The IUPAC name of copper bis(2-(pyridin-2-ylmethylideneamino)benzenesulfonate) (CID 139077452) is copper bis(2-(pyridin-2-ylmethylideneamino)benzenesulfonate).
What is the SMILES notation for copper bis(2-(pyridin-2-ylmethylideneamino)benzenesulfonate)?
The canonical SMILES for copper bis(2-(pyridin-2-ylmethylideneamino)benzenesulfonate) is O=S(=O)([O-])c1ccccc1/N=C/c1ccccn1.O=S(=O)([O-])c1ccccc1/N=C/c1ccccn1.[Cu+2].
What is the InChIKey of copper bis(2-(pyridin-2-ylmethylideneamino)benzenesulfonate)?
The InChIKey is CUFZGZSBRFKMTB-ZNVPEIAMSA-L. The full InChI is InChI=1S/2C12H10N2O3S.Cu/c2*15-18(16,17)12-7-2-1-6-11(12)14-9-10-5-3-4-8-13-10;/h2*1-9H,(H,15,16,17);/q;;+2/p-2/b2*14-9+;.
What are the key properties of copper bis(2-(pyridin-2-ylmethylideneamino)benzenesulfonate)?
copper bis(2-(pyridin-2-ylmethylideneamino)benzenesulfonate) has a molecular weight of 586.11 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2-(pyridin-2-ylmethylideneamino)benzenesulfonate) is sourced from PubChem (CID 139077452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).