cobalt(2+);bis(2-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]-3-oxo-N-phenylbutanimidate)

C32H30CoN8O10S2 — CID 155293719

IUPACcobalt(2+);bis(2-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]-3-oxo-N-phenylbutanimidate)
SMILESCC(=O)C(/N=N/c1cc(S(N)(=O)=O)ccc1O)/C([O-])=N/c1ccccc1.CC(=O)C(/N=N/c1cc(S(N)(=O)=O)ccc1O)/C([O-])=N\c1ccccc1.[Co+2]
InChIInChI=1S/2C16H16N4O5S.Co/c2*1-10(21)15(16(23)18-11-5-3-2-4-6-11)20-19-13-9-12(26(17,24)25)7-8-14(13)22;/h2*2-9,15,22H,1H3,(H,18,23)(H2,17,24,25);/q;;+2/p-2/b2*20-19+;
InChIKeyFCAYRSKJQANROE-FFRZOONGSA-L
MW809.71 g/mol
LogP2.34
Rot. Bonds12

About cobalt(2+);bis(2-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]-3-oxo-N-phenylbutanimidate)

cobalt(2+);bis(2-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]-3-oxo-N-phenylbutanimidate) (PubChem CID 155293719) has the molecular formula C32H30CoN8O10S2 and a molecular weight of 809.71 g/mol. Its IUPAC name is cobalt(2+);bis(2-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]-3-oxo-N-phenylbutanimidate).

Molecular Properties

Compound Namecobalt(2+);bis(2-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]-3-oxo-N-phenylbutanimidate)
PubChem CID155293719
Molecular FormulaC32H30CoN8O10S2
Molecular Weight809.71 g/mol
Exact Mass809.09
IUPAC Namecobalt(2+);bis(2-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]-3-oxo-N-phenylbutanimidate)
SMILESCC(=O)C(/N=N/c1cc(S(N)(=O)=O)ccc1O)/C([O-])=N/c1ccccc1.CC(=O)C(/N=N/c1cc(S(N)(=O)=O)ccc1O)/C([O-])=N\c1ccccc1.[Co+2]
InChIInChI=1S/2C16H16N4O5S.Co/c2*1-10(21)15(16(23)18-11-5-3-2-4-6-11)20-19-13-9-12(26(17,24)25)7-8-14(13)22;/h2*2-9,15,22H,1H3,(H,18,23)(H2,17,24,25);/q;;+2/p-2/b2*20-19+;
InChIKeyFCAYRSKJQANROE-FFRZOONGSA-L
XLogP2.34
TPSA315.20 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.71
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze cobalt(2+);bis(2-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]-3-oxo-N-phenylbutanimidate) 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

ethyl (2R)-3-oxo-2-[(4-sulfamoylphenyl)diazenyl]butanoate
CID 98394400
(2R)-N-naphthalen-1-yl-3-oxo-2-[(4-sulfamoylphenyl)diazenyl]butanamide
CID 98517780
4-(1,3-dioxo-1-phenylbutan-2-yl)benzenesulfonamide
CID 141413711
4-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]benzenesulfonamide
CID 135408455
bis(2-[[(Z)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+)
CID 138394503
4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]benzenesulfonic acid
CID 135672570
(2S)-N-(4-chlorophenyl)-3-oxo-2-[(4-sulfamoylphenyl)diazenyl]butanamide
CID 98517907
CID 170839222
CID 170839222
6-[(1,3-dioxo-1-phenylbutan-2-yl)diazenyl]-3-hydroxy-2-nitrobenzenesulfonic acid
CID 137229321
bis(2-[[(E)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+);hydron
CID 156592327
sodium 3-benzamido-4-hydroxy-5-[[1-[4-[4-[[2-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]-3-oxobutanoyl]amino]-3-methoxyphenyl]-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]benzenesulfonate
CID 135666432
N'-(4-sulfamoylphenyl)benzenecarboximidamide
CID 55159197

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(2-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]-3-oxo-N-phenylbutanimidate)?
The IUPAC name of cobalt(2+);bis(2-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]-3-oxo-N-phenylbutanimidate) (CID 155293719) is cobalt(2+);bis(2-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]-3-oxo-N-phenylbutanimidate).
What is the SMILES notation for cobalt(2+);bis(2-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]-3-oxo-N-phenylbutanimidate)?
The canonical SMILES for cobalt(2+);bis(2-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]-3-oxo-N-phenylbutanimidate) is CC(=O)C(/N=N/c1cc(S(N)(=O)=O)ccc1O)/C([O-])=N/c1ccccc1.CC(=O)C(/N=N/c1cc(S(N)(=O)=O)ccc1O)/C([O-])=N\c1ccccc1.[Co+2].
What is the InChIKey of cobalt(2+);bis(2-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]-3-oxo-N-phenylbutanimidate)?
The InChIKey is FCAYRSKJQANROE-FFRZOONGSA-L. The full InChI is InChI=1S/2C16H16N4O5S.Co/c2*1-10(21)15(16(23)18-11-5-3-2-4-6-11)20-19-13-9-12(26(17,24)25)7-8-14(13)22;/h2*2-9,15,22H,1H3,(H,18,23)(H2,17,24,25);/q;;+2/p-2/b2*20-19+;.
What are the key properties of cobalt(2+);bis(2-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]-3-oxo-N-phenylbutanimidate)?
cobalt(2+);bis(2-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]-3-oxo-N-phenylbutanimidate) has a molecular weight of 809.71 g/mol, XLogP of 2.34, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(2-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]-3-oxo-N-phenylbutanimidate) is sourced from PubChem (CID 155293719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).