sodium;chromium(3+);bis(5-(dimethylsulfamoyl)-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenolate)

C36H36CrN10NaO8S2+2 — CID 170840608

IUPACsodium;chromium(3+);bis(5-(dimethylsulfamoyl)-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenolate)
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)N(C)C)cc1[O-].Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N\c1ccc(S(=O)(=O)N(C)C)cc1[O-].[Cr+3].[Na+]
InChIInChI=1S/2C18H19N5O4S.Cr.Na/c2*1-12-17(18(25)23(21-12)13-7-5-4-6-8-13)20-19-15-10-9-14(11-16(15)24)28(26,27)22(2)3;;/h2*4-11,21,24H,1-3H3;;/q;;+3;+1/p-2/b20-19+;20-19-;;
InChIKeyZGROAZXDHGDQFD-JQOFHGHRSA-L
MW875.87 g/mol
LogP1.43
Rot. Bonds10

About sodium;chromium(3+);bis(5-(dimethylsulfamoyl)-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenolate)

sodium;chromium(3+);bis(5-(dimethylsulfamoyl)-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenolate) (PubChem CID 170840608) has the molecular formula C36H36CrN10NaO8S2+2 and a molecular weight of 875.87 g/mol. Its IUPAC name is sodium;chromium(3+);bis(5-(dimethylsulfamoyl)-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenolate).

Molecular Properties

Compound Namesodium;chromium(3+);bis(5-(dimethylsulfamoyl)-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenolate)
PubChem CID170840608
Molecular FormulaC36H36CrN10NaO8S2+2
Molecular Weight875.87 g/mol
Exact Mass875.15
IUPAC Namesodium;chromium(3+);bis(5-(dimethylsulfamoyl)-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenolate)
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)N(C)C)cc1[O-].Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N\c1ccc(S(=O)(=O)N(C)C)cc1[O-].[Cr+3].[Na+]
InChIInChI=1S/2C18H19N5O4S.Cr.Na/c2*1-12-17(18(25)23(21-12)13-7-5-4-6-8-13)20-19-15-10-9-14(11-16(15)24)28(26,27)22(2)3;;/h2*4-11,21,24H,1-3H3;;/q;;+3;+1/p-2/b20-19+;20-19-;;
InChIKeyZGROAZXDHGDQFD-JQOFHGHRSA-L
XLogP1.43
TPSA245.90 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.87
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze sodium;chromium(3+);bis(5-(dimethylsulfamoyl)-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenolate) 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

sodium;chromium;bis(2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-5-methylsulfonylphenolate)
CID 163360205
sodium;chromium(3+);bis(2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4-methylsulfonyl-5-nitrophenolate)
CID 170842065
disodium;chromium;2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-5-nitrophenolate;2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4-nitro-6-sulfophenolate
CID 155886760
chromium(3+);2-[(2,4-diaminophenyl)diazenyl]-4-sulfophenolate;2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-5-nitrophenolate
CID 170854203
sodium;chromium;[3-hydroxy-4-[[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]phenyl]sulfonylazanium;2-[[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-sulfamoylphenolate
CID 170845751
cobalt(3+);2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4-nitrophenolate;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate
CID 170844531
chromium(3+);4-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one;2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4-nitrophenolate
CID 170839863
sodium;cobalt;ethyl-[4-hydroxy-3-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenyl]sulfonylazanium;2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4-sulfamoylphenolate
CID 170845880
5-methyl-2-phenyl-4-[(2,4,6-trimethylphenyl)diazenyl]-1H-pyrazol-3-one
CID 748787
2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-5-nitrobenzoic acid
CID 542327
(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)iminourea
CID 137309994
chromium;bis(4-[(4-ethylsulfonyl-2-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one);hexane-1,6-diamine;hydron
CID 163360375

Frequently Asked Questions

What is the IUPAC name of sodium;chromium(3+);bis(5-(dimethylsulfamoyl)-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenolate)?
The IUPAC name of sodium;chromium(3+);bis(5-(dimethylsulfamoyl)-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenolate) (CID 170840608) is sodium;chromium(3+);bis(5-(dimethylsulfamoyl)-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenolate).
What is the SMILES notation for sodium;chromium(3+);bis(5-(dimethylsulfamoyl)-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenolate)?
The canonical SMILES for sodium;chromium(3+);bis(5-(dimethylsulfamoyl)-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenolate) is Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)N(C)C)cc1[O-].Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N\c1ccc(S(=O)(=O)N(C)C)cc1[O-].[Cr+3].[Na+].
What is the InChIKey of sodium;chromium(3+);bis(5-(dimethylsulfamoyl)-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenolate)?
The InChIKey is ZGROAZXDHGDQFD-JQOFHGHRSA-L. The full InChI is InChI=1S/2C18H19N5O4S.Cr.Na/c2*1-12-17(18(25)23(21-12)13-7-5-4-6-8-13)20-19-15-10-9-14(11-16(15)24)28(26,27)22(2)3;;/h2*4-11,21,24H,1-3H3;;/q;;+3;+1/p-2/b20-19+;20-19-;;.
What are the key properties of sodium;chromium(3+);bis(5-(dimethylsulfamoyl)-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenolate)?
sodium;chromium(3+);bis(5-(dimethylsulfamoyl)-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenolate) has a molecular weight of 875.87 g/mol, XLogP of 1.43, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;chromium(3+);bis(5-(dimethylsulfamoyl)-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenolate) is sourced from PubChem (CID 170840608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).