sodium;chromium(3+);bis(1-[[5-(3-methoxypropylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate)

C40H38CrN6NaO10S2 — CID 154734699

IUPACsodium;chromium(3+);bis(1-[[5-(3-methoxypropylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate)
SMILESCOCCCNS(=O)(=O)c1ccc([O-])c(/N=N/c2c([O-])ccc3ccccc23)c1.COCCCNS(=O)(=O)c1ccc([O-])c(/N=N/c2c([O-])ccc3ccccc23)c1.[Cr+3].[Na+]
InChIInChI=1S/2C20H21N3O5S.Cr.Na/c2*1-28-12-4-11-21-29(26,27)15-8-10-18(24)17(13-15)22-23-20-16-6-3-2-5-14(16)7-9-19(20)25;;/h2*2-3,5-10,13,21,24-25H,4,11-12H2,1H3;;/q;;+3;+1/p-4/b2*23-22+;;
InChIKeyYNKPDGLLYQOHDX-RIYHHPMSSA-J
MW901.90 g/mol
LogP2.44
Rot. Bonds16

About sodium;chromium(3+);bis(1-[[5-(3-methoxypropylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate)

sodium;chromium(3+);bis(1-[[5-(3-methoxypropylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate) (PubChem CID 154734699) has the molecular formula C40H38CrN6NaO10S2 and a molecular weight of 901.90 g/mol. Its IUPAC name is sodium;chromium(3+);bis(1-[[5-(3-methoxypropylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate).

Molecular Properties

Compound Namesodium;chromium(3+);bis(1-[[5-(3-methoxypropylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate)
PubChem CID154734699
Molecular FormulaC40H38CrN6NaO10S2
Molecular Weight901.90 g/mol
Exact Mass901.14
IUPAC Namesodium;chromium(3+);bis(1-[[5-(3-methoxypropylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate)
SMILESCOCCCNS(=O)(=O)c1ccc([O-])c(/N=N/c2c([O-])ccc3ccccc23)c1.COCCCNS(=O)(=O)c1ccc([O-])c(/N=N/c2c([O-])ccc3ccccc23)c1.[Cr+3].[Na+]
InChIInChI=1S/2C20H21N3O5S.Cr.Na/c2*1-28-12-4-11-21-29(26,27)15-8-10-18(24)17(13-15)22-23-20-16-6-3-2-5-14(16)7-9-19(20)25;;/h2*2-3,5-10,13,21,24-25H,4,11-12H2,1H3;;/q;;+3;+1/p-4/b2*23-22+;;
InChIKeyYNKPDGLLYQOHDX-RIYHHPMSSA-J
XLogP2.44
TPSA252.48 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.90
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

cobalt(3+);hydron;bis(1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate)
CID 156595506
sodium;cobalt(3+);bis(3-methyl-4-[[2-oxido-5-(3-propan-2-yloxypropylsulfamoyl)phenyl]diazenyl]-1-phenylpyrazol-5-olate)
CID 154734710
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776
disodium;cobalt(2+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfamoylphenolate;4-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonimidate
CID 170841737
3-(benzenesulfonyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 11978633
sodium;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+);hydroxide
CID 165360712
N-[2-(2-methoxyethylamino)ethyl]naphthalene-2-sulfonamide
CID 83036908
sodium;chromium(3+);1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate
CID 86290247
3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide
CID 43258870
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228
3-(3-methoxypropylsulfamoyl)benzoate
CID 36691372
2-amino-N-(4-methoxybutyl)quinoline-6-sulfonamide
CID 62157318

Frequently Asked Questions

What is the IUPAC name of sodium;chromium(3+);bis(1-[[5-(3-methoxypropylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate)?
The IUPAC name of sodium;chromium(3+);bis(1-[[5-(3-methoxypropylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate) (CID 154734699) is sodium;chromium(3+);bis(1-[[5-(3-methoxypropylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate).
What is the SMILES notation for sodium;chromium(3+);bis(1-[[5-(3-methoxypropylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate)?
The canonical SMILES for sodium;chromium(3+);bis(1-[[5-(3-methoxypropylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate) is COCCCNS(=O)(=O)c1ccc([O-])c(/N=N/c2c([O-])ccc3ccccc23)c1.COCCCNS(=O)(=O)c1ccc([O-])c(/N=N/c2c([O-])ccc3ccccc23)c1.[Cr+3].[Na+].
What is the InChIKey of sodium;chromium(3+);bis(1-[[5-(3-methoxypropylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate)?
The InChIKey is YNKPDGLLYQOHDX-RIYHHPMSSA-J. The full InChI is InChI=1S/2C20H21N3O5S.Cr.Na/c2*1-28-12-4-11-21-29(26,27)15-8-10-18(24)17(13-15)22-23-20-16-6-3-2-5-14(16)7-9-19(20)25;;/h2*2-3,5-10,13,21,24-25H,4,11-12H2,1H3;;/q;;+3;+1/p-4/b2*23-22+;;.
What are the key properties of sodium;chromium(3+);bis(1-[[5-(3-methoxypropylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate)?
sodium;chromium(3+);bis(1-[[5-(3-methoxypropylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate) has a molecular weight of 901.90 g/mol, XLogP of 2.44, 16 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;chromium(3+);bis(1-[[5-(3-methoxypropylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate) is sourced from PubChem (CID 154734699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).