copper;bis((4-aminophenyl)sulfonyl-(1,3-thiazol-2-yl)azanide);bis(1H-benzimidazole);methanol

C34H36CuN10O6S4 — CID 139063519

IUPACcopper;bis((4-aminophenyl)sulfonyl-(1,3-thiazol-2-yl)azanide);bis(1H-benzimidazole);methanol
SMILESCO.CO.Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1.Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1.[Cu+2].c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1
InChIInChI=1S/2C9H8N3O2S2.2C7H6N2.2CH4O.Cu/c2*10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9;2*1-2-4-7-6(3-1)8-5-9-7;2*1-2;/h2*1-6H,10H2;2*1-5H,(H,8,9);2*2H,1H3;/q2*-1;;;;;+2
InChIKeyJQULEFHHNPXGRN-UHFFFAOYSA-N
MW872.54 g/mol
LogP6.58
Rot. Bonds6

About copper;bis((4-aminophenyl)sulfonyl-(1,3-thiazol-2-yl)azanide);bis(1H-benzimidazole);methanol

copper;bis((4-aminophenyl)sulfonyl-(1,3-thiazol-2-yl)azanide);bis(1H-benzimidazole);methanol (PubChem CID 139063519) has the molecular formula C34H36CuN10O6S4 and a molecular weight of 872.54 g/mol. Its IUPAC name is copper;bis((4-aminophenyl)sulfonyl-(1,3-thiazol-2-yl)azanide);bis(1H-benzimidazole);methanol.

Molecular Properties

Compound Namecopper;bis((4-aminophenyl)sulfonyl-(1,3-thiazol-2-yl)azanide);bis(1H-benzimidazole);methanol
PubChem CID139063519
Molecular FormulaC34H36CuN10O6S4
Molecular Weight872.54 g/mol
Exact Mass871.10
IUPAC Namecopper;bis((4-aminophenyl)sulfonyl-(1,3-thiazol-2-yl)azanide);bis(1H-benzimidazole);methanol
SMILESCO.CO.Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1.Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1.[Cu+2].c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1
InChIInChI=1S/2C9H8N3O2S2.2C7H6N2.2CH4O.Cu/c2*10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9;2*1-2-4-7-6(3-1)8-5-9-7;2*1-2;/h2*1-6H,10H2;2*1-5H,(H,8,9);2*2H,1H3;/q2*-1;;;;;+2
InChIKeyJQULEFHHNPXGRN-UHFFFAOYSA-N
XLogP6.58
TPSA272.12 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500872.54
LogP ≤ 56.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;bis((4-aminophenyl)sulfonyl-(1,3-thiazol-2-yl)azanide);bis(1H-benzimidazole);methanol?
The IUPAC name of copper;bis((4-aminophenyl)sulfonyl-(1,3-thiazol-2-yl)azanide);bis(1H-benzimidazole);methanol (CID 139063519) is copper;bis((4-aminophenyl)sulfonyl-(1,3-thiazol-2-yl)azanide);bis(1H-benzimidazole);methanol.
What is the SMILES notation for copper;bis((4-aminophenyl)sulfonyl-(1,3-thiazol-2-yl)azanide);bis(1H-benzimidazole);methanol?
The canonical SMILES for copper;bis((4-aminophenyl)sulfonyl-(1,3-thiazol-2-yl)azanide);bis(1H-benzimidazole);methanol is CO.CO.Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1.Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1.[Cu+2].c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1.
What is the InChIKey of copper;bis((4-aminophenyl)sulfonyl-(1,3-thiazol-2-yl)azanide);bis(1H-benzimidazole);methanol?
The InChIKey is JQULEFHHNPXGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H8N3O2S2.2C7H6N2.2CH4O.Cu/c2*10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9;2*1-2-4-7-6(3-1)8-5-9-7;2*1-2;/h2*1-6H,10H2;2*1-5H,(H,8,9);2*2H,1H3;/q2*-1;;;;;+2.
What are the key properties of copper;bis((4-aminophenyl)sulfonyl-(1,3-thiazol-2-yl)azanide);bis(1H-benzimidazole);methanol?
copper;bis((4-aminophenyl)sulfonyl-(1,3-thiazol-2-yl)azanide);bis(1H-benzimidazole);methanol has a molecular weight of 872.54 g/mol, XLogP of 6.58, 6 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis((4-aminophenyl)sulfonyl-(1,3-thiazol-2-yl)azanide);bis(1H-benzimidazole);methanol is sourced from PubChem (CID 139063519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).