zinc;tris(ethane-1,2-diamine);bis([4-(pyrimidin-2-ylsulfamoyl)phenyl]azanide)

C26H42N14O4S2Zn — CID 10010263

IUPACzinc;tris(ethane-1,2-diamine);bis([4-(pyrimidin-2-ylsulfamoyl)phenyl]azanide)
SMILESNCCN.NCCN.NCCN.[NH-]c1ccc(S(=O)(=O)Nc2ncccn2)cc1.[NH-]c1ccc(S(=O)(=O)Nc2ncccn2)cc1.[Zn+2]
InChIInChI=1S/2C10H9N4O2S.3C2H8N2.Zn/c2*11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;3*3-1-2-4;/h2*1-7,11H,(H,12,13,14);3*1-4H2;/q2*-1;;;;+2
InChIKeyQXHVLYMXBWZGRL-UHFFFAOYSA-N
MW744.24 g/mol
LogP0.63
Rot. Bonds9

About zinc;tris(ethane-1,2-diamine);bis([4-(pyrimidin-2-ylsulfamoyl)phenyl]azanide)

zinc;tris(ethane-1,2-diamine);bis([4-(pyrimidin-2-ylsulfamoyl)phenyl]azanide) (PubChem CID 10010263) has the molecular formula C26H42N14O4S2Zn and a molecular weight of 744.24 g/mol. Its IUPAC name is zinc;tris(ethane-1,2-diamine);bis([4-(pyrimidin-2-ylsulfamoyl)phenyl]azanide).

Molecular Properties

Compound Namezinc;tris(ethane-1,2-diamine);bis([4-(pyrimidin-2-ylsulfamoyl)phenyl]azanide)
PubChem CID10010263
Molecular FormulaC26H42N14O4S2Zn
Molecular Weight744.24 g/mol
Exact Mass742.22
IUPAC Namezinc;tris(ethane-1,2-diamine);bis([4-(pyrimidin-2-ylsulfamoyl)phenyl]azanide)
SMILESNCCN.NCCN.NCCN.[NH-]c1ccc(S(=O)(=O)Nc2ncccn2)cc1.[NH-]c1ccc(S(=O)(=O)Nc2ncccn2)cc1.[Zn+2]
InChIInChI=1S/2C10H9N4O2S.3C2H8N2.Zn/c2*11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;3*3-1-2-4;/h2*1-7,11H,(H,12,13,14);3*1-4H2;/q2*-1;;;;+2
InChIKeyQXHVLYMXBWZGRL-UHFFFAOYSA-N
XLogP0.63
TPSA347.62 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500744.24
LogP ≤ 50.63
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 669150
4-(3-aminoprop-1-ynyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 60844825
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562
4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 43111211
4-(methylideneamino)-N-pyrimidin-2-ylbenzenesulfonamide
CID 66656852
4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 1164234
4-(3-hydroxyprop-1-ynyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 60844403
1-(4-chlorophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]urea
CID 2200922
4-(2-amino-1,3-thiazol-5-yl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 132521229

Frequently Asked Questions

What is the IUPAC name of zinc;tris(ethane-1,2-diamine);bis([4-(pyrimidin-2-ylsulfamoyl)phenyl]azanide)?
The IUPAC name of zinc;tris(ethane-1,2-diamine);bis([4-(pyrimidin-2-ylsulfamoyl)phenyl]azanide) (CID 10010263) is zinc;tris(ethane-1,2-diamine);bis([4-(pyrimidin-2-ylsulfamoyl)phenyl]azanide).
What is the SMILES notation for zinc;tris(ethane-1,2-diamine);bis([4-(pyrimidin-2-ylsulfamoyl)phenyl]azanide)?
The canonical SMILES for zinc;tris(ethane-1,2-diamine);bis([4-(pyrimidin-2-ylsulfamoyl)phenyl]azanide) is NCCN.NCCN.NCCN.[NH-]c1ccc(S(=O)(=O)Nc2ncccn2)cc1.[NH-]c1ccc(S(=O)(=O)Nc2ncccn2)cc1.[Zn+2].
What is the InChIKey of zinc;tris(ethane-1,2-diamine);bis([4-(pyrimidin-2-ylsulfamoyl)phenyl]azanide)?
The InChIKey is QXHVLYMXBWZGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9N4O2S.3C2H8N2.Zn/c2*11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;3*3-1-2-4;/h2*1-7,11H,(H,12,13,14);3*1-4H2;/q2*-1;;;;+2.
What are the key properties of zinc;tris(ethane-1,2-diamine);bis([4-(pyrimidin-2-ylsulfamoyl)phenyl]azanide)?
zinc;tris(ethane-1,2-diamine);bis([4-(pyrimidin-2-ylsulfamoyl)phenyl]azanide) has a molecular weight of 744.24 g/mol, XLogP of 0.63, 9 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;tris(ethane-1,2-diamine);bis([4-(pyrimidin-2-ylsulfamoyl)phenyl]azanide) is sourced from PubChem (CID 10010263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).