sodium;2-[[1-(4-chlorophenyl)-3-methyl-5-oxidopyrazol-4-yl]diazenyl]-5-(oxidosulfonimidoyl)benzoate;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-sulfamoylbenzoate;chromium(3+)

C34H24Cl2CrN10NaO10S2 — CID 170840015

IUPACsodium;2-[[1-(4-chlorophenyl)-3-methyl-5-oxidopyrazol-4-yl]diazenyl]-5-(oxidosulfonimidoyl)benzoate;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-sulfamoylbenzoate;chromium(3+)
SMILESCc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1/N=N/c1ccc(S(N)(=O)=O)cc1C(=O)[O-].[Cr+3].[H]N=S(=O)([O-])c1ccc(/N=N/c2c(C)nn(-c3ccc(Cl)cc3)c2[O-])c(C(=O)[O-])c1.[Na+]
InChIInChI=1S/2C17H14ClN5O5S.Cr.Na/c2*1-9-15(16(24)23(22-9)11-4-2-10(18)3-5-11)21-20-14-7-6-12(29(19,27)28)8-13(14)17(25)26;;/h2-8,24H,1H3,(H,25,26)(H2,19,27,28);2-8,22H,1H3,(H,25,26)(H2,19,27,28);;/q;;+3;+1/p-4/b2*21-20+;;
InChIKeyVYJUNVBHMDZYSR-XJQIYIKESA-J
MW942.65 g/mol
LogP0.78
Rot. Bonds10

About sodium;2-[[1-(4-chlorophenyl)-3-methyl-5-oxidopyrazol-4-yl]diazenyl]-5-(oxidosulfonimidoyl)benzoate;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-sulfamoylbenzoate;chromium(3+)

sodium;2-[[1-(4-chlorophenyl)-3-methyl-5-oxidopyrazol-4-yl]diazenyl]-5-(oxidosulfonimidoyl)benzoate;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-sulfamoylbenzoate;chromium(3+) (PubChem CID 170840015) has the molecular formula C34H24Cl2CrN10NaO10S2 and a molecular weight of 942.65 g/mol. Its IUPAC name is sodium;2-[[1-(4-chlorophenyl)-3-methyl-5-oxidopyrazol-4-yl]diazenyl]-5-(oxidosulfonimidoyl)benzoate;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-sulfamoylbenzoate;chromium(3+).

Molecular Properties

Compound Namesodium;2-[[1-(4-chlorophenyl)-3-methyl-5-oxidopyrazol-4-yl]diazenyl]-5-(oxidosulfonimidoyl)benzoate;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-sulfamoylbenzoate;chromium(3+)
PubChem CID170840015
Molecular FormulaC34H24Cl2CrN10NaO10S2
Molecular Weight942.65 g/mol
Exact Mass940.98
IUPAC Namesodium;2-[[1-(4-chlorophenyl)-3-methyl-5-oxidopyrazol-4-yl]diazenyl]-5-(oxidosulfonimidoyl)benzoate;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-sulfamoylbenzoate;chromium(3+)
SMILESCc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1/N=N/c1ccc(S(N)(=O)=O)cc1C(=O)[O-].[Cr+3].[H]N=S(=O)([O-])c1ccc(/N=N/c2c(C)nn(-c3ccc(Cl)cc3)c2[O-])c(C(=O)[O-])c1.[Na+]
InChIInChI=1S/2C17H14ClN5O5S.Cr.Na/c2*1-9-15(16(24)23(22-9)11-4-2-10(18)3-5-11)21-20-14-7-6-12(29(19,27)28)8-13(14)17(25)26;;/h2-8,24H,1H3,(H,25,26)(H2,19,27,28);2-8,22H,1H3,(H,25,26)(H2,19,27,28);;/q;;+3;+1/p-4/b2*21-20+;;
InChIKeyVYJUNVBHMDZYSR-XJQIYIKESA-J
XLogP0.78
TPSA332.51 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.65
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze sodium;2-[[1-(4-chlorophenyl)-3-methyl-5-oxidopyrazol-4-yl]diazenyl]-5-(oxidosulfonimidoyl)benzoate;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-sulfamoylbenzoate;chromium(3+) with MolForge

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Related Compounds

trisodium;iron(3+);4-[3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-5-oxidopyrazol-1-yl]benzenesulfonate;2-[[5-methyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-4-nitrophenolate
CID 170840456
chromium(3+);2-[[1-(2-ethylphenyl)-3-methyl-5-oxidopyrazol-4-yl]diazenyl]benzoate;2-[[2-(2-ethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoate
CID 170840345
4-chloro-2-[[5-methyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]phenolate
CID 136901535
trisodium;cobalt(3+);4-[3-methyl-4-[[4-[3-methyl-4-[[2-oxido-4-(oxidosulfonimidoyl)phenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]diazenyl]-5-oxidopyrazol-1-yl]benzenesulfonate;3-methyl-4-[[4-[3-methyl-4-[(2-oxido-4-sulfamoylphenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]diazenyl]-1-(4-sulfophenyl)pyrazol-5-olate
CID 170840616
2-[(1-anilino-3-hydroxy-1-oxobut-2-en-2-yl)diazenyl]-4-sulfamoylphenolate;chromium(3+);2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]benzoate
CID 170854123
3-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide;cobalt(2+)
CID 135602174
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;chromium;bis(2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-5-methylsulfonylphenolate)
CID 163360205
4-chloro-2-[[5-methyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-6-sulfobenzoic acid
CID 135783339
4-[5-methyl-3-oxo-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]benzenesulfonamide
CID 135883470
sodium;chromium(3+);bis(5-(dimethylsulfamoyl)-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenolate)
CID 170840608
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

Frequently Asked Questions

What is the IUPAC name of sodium;2-[[1-(4-chlorophenyl)-3-methyl-5-oxidopyrazol-4-yl]diazenyl]-5-(oxidosulfonimidoyl)benzoate;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-sulfamoylbenzoate;chromium(3+)?
The IUPAC name of sodium;2-[[1-(4-chlorophenyl)-3-methyl-5-oxidopyrazol-4-yl]diazenyl]-5-(oxidosulfonimidoyl)benzoate;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-sulfamoylbenzoate;chromium(3+) (CID 170840015) is sodium;2-[[1-(4-chlorophenyl)-3-methyl-5-oxidopyrazol-4-yl]diazenyl]-5-(oxidosulfonimidoyl)benzoate;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-sulfamoylbenzoate;chromium(3+).
What is the SMILES notation for sodium;2-[[1-(4-chlorophenyl)-3-methyl-5-oxidopyrazol-4-yl]diazenyl]-5-(oxidosulfonimidoyl)benzoate;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-sulfamoylbenzoate;chromium(3+)?
The canonical SMILES for sodium;2-[[1-(4-chlorophenyl)-3-methyl-5-oxidopyrazol-4-yl]diazenyl]-5-(oxidosulfonimidoyl)benzoate;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-sulfamoylbenzoate;chromium(3+) is Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1/N=N/c1ccc(S(N)(=O)=O)cc1C(=O)[O-].[Cr+3].[H]N=S(=O)([O-])c1ccc(/N=N/c2c(C)nn(-c3ccc(Cl)cc3)c2[O-])c(C(=O)[O-])c1.[Na+].
What is the InChIKey of sodium;2-[[1-(4-chlorophenyl)-3-methyl-5-oxidopyrazol-4-yl]diazenyl]-5-(oxidosulfonimidoyl)benzoate;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-sulfamoylbenzoate;chromium(3+)?
The InChIKey is VYJUNVBHMDZYSR-XJQIYIKESA-J. The full InChI is InChI=1S/2C17H14ClN5O5S.Cr.Na/c2*1-9-15(16(24)23(22-9)11-4-2-10(18)3-5-11)21-20-14-7-6-12(29(19,27)28)8-13(14)17(25)26;;/h2-8,24H,1H3,(H,25,26)(H2,19,27,28);2-8,22H,1H3,(H,25,26)(H2,19,27,28);;/q;;+3;+1/p-4/b2*21-20+;;.
What are the key properties of sodium;2-[[1-(4-chlorophenyl)-3-methyl-5-oxidopyrazol-4-yl]diazenyl]-5-(oxidosulfonimidoyl)benzoate;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-sulfamoylbenzoate;chromium(3+)?
sodium;2-[[1-(4-chlorophenyl)-3-methyl-5-oxidopyrazol-4-yl]diazenyl]-5-(oxidosulfonimidoyl)benzoate;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-sulfamoylbenzoate;chromium(3+) has a molecular weight of 942.65 g/mol, XLogP of 0.78, 10 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-[[1-(4-chlorophenyl)-3-methyl-5-oxidopyrazol-4-yl]diazenyl]-5-(oxidosulfonimidoyl)benzoate;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-sulfamoylbenzoate;chromium(3+) is sourced from PubChem (CID 170840015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).