3-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide;cobalt(2+)

C17H16ClCoN5O4S+2 — CID 135602174

IUPAC3-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide;cobalt(2+)
SMILESCNS(=O)(=O)c1ccc(O)c(/N=N/c2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)c1.[Co+2]
InChIInChI=1S/C17H16ClN5O4S.Co/c1-10-16(17(25)23(22-10)12-5-3-11(18)4-6-12)21-20-14-9-13(7-8-15(14)24)28(26,27)19-2;/h3-9,19,22,24H,1-2H3;/q;+2/b21-20+;
InChIKeyVDLXNWZUNIGYEY-ANVLNOONSA-N
MW480.80 g/mol
LogP3.15
Rot. Bonds5

About 3-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide;cobalt(2+)

3-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide;cobalt(2+) (PubChem CID 135602174) has the molecular formula C17H16ClCoN5O4S+2 and a molecular weight of 480.80 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide;cobalt(2+).

Molecular Properties

Compound Name3-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide;cobalt(2+)
PubChem CID135602174
Molecular FormulaC17H16ClCoN5O4S+2
Molecular Weight480.80 g/mol
Exact Mass479.99
IUPAC Name3-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide;cobalt(2+)
SMILESCNS(=O)(=O)c1ccc(O)c(/N=N/c2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)c1.[Co+2]
InChIInChI=1S/C17H16ClN5O4S.Co/c1-10-16(17(25)23(22-10)12-5-3-11(18)4-6-12)21-20-14-9-13(7-8-15(14)24)28(26,27)19-2;/h3-9,19,22,24H,1-2H3;/q;+2/b21-20+;
InChIKeyVDLXNWZUNIGYEY-ANVLNOONSA-N
XLogP3.15
TPSA128.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.80
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(8-acetamido-2-hydroxynaphthalen-1-yl)diazenyl]-4-(methylsulfamoyl)phenolate;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt(3+)
CID 170845169
4-chloro-2-[[5-methyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]phenolate
CID 136901535
3-[[2-[3-[(4,6-dichloro-1,4-dihydro-1,3,5-triazin-2-yl)amino]phenyl]-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide
CID 135548786
azane;2-(3-chlorophenyl)-4-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]-5-methyl-1H-pyrazol-3-one;2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-methylsulfonylphenolate;chromium(3+)
CID 170854481
(8-acetamido-2-hydroxynaphthalen-1-yl)-[2-hydroxy-5-(methylazaniumyl)sulfonylphenyl]iminoazanium;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt
CID 170845171
2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylazaniumyl)sulfonylphenolate;2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt(3+)
CID 170841730
4-hydroxy-3-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-N-(3-propan-2-yloxypropyl)benzenesulfonamide
CID 135850889
4-[4-[[4-[[4-hydroxy-3-[[5-methyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]phenyl]sulfonylamino]phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
CID 165339966
4-chloro-2-[[5-methyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-6-sulfobenzoic acid
CID 135783339
sodium;cobalt;[4-hydroxy-3-[[5-methyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]phenyl]sulfonylazanium;2-[[5-methyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfamoylphenolate
CID 170845788
sodium;bis(3-[[1-(3-chlorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide);cobalt(3+)
CID 156599318
4-[[5-methyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]benzenesulfonic acid
CID 135564870

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide;cobalt(2+)?
The IUPAC name of 3-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide;cobalt(2+) (CID 135602174) is 3-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide;cobalt(2+).
What is the SMILES notation for 3-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide;cobalt(2+)?
The canonical SMILES for 3-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide;cobalt(2+) is CNS(=O)(=O)c1ccc(O)c(/N=N/c2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)c1.[Co+2].
What is the InChIKey of 3-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide;cobalt(2+)?
The InChIKey is VDLXNWZUNIGYEY-ANVLNOONSA-N. The full InChI is InChI=1S/C17H16ClN5O4S.Co/c1-10-16(17(25)23(22-10)12-5-3-11(18)4-6-12)21-20-14-9-13(7-8-15(14)24)28(26,27)19-2;/h3-9,19,22,24H,1-2H3;/q;+2/b21-20+;.
What are the key properties of 3-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide;cobalt(2+)?
3-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide;cobalt(2+) has a molecular weight of 480.80 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide;cobalt(2+) is sourced from PubChem (CID 135602174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).