sodium;chromium;bis(3-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonamide)

C32H26CrN12NaO12S2- — CID 91809143

About sodium;chromium;bis(3-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonamide)

sodium;chromium;bis(3-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonamide) (PubChem CID 91809143) has the molecular formula C32H26CrN12NaO12S2- and a molecular weight of 909.75 g/mol. Its IUPAC name is sodium;chromium;bis(3-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonamide).

Molecular Properties

• Compound Name: sodium;chromium;bis(3-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonamide)
• PubChem CID: 91809143
• Molecular Formula: C32H26CrN12NaO12S2-
• Molecular Weight: 909.75 g/mol
• Exact Mass: 909.05
• IUPAC Name: sodium;chromium;bis(3-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonamide)
• SMILES: Cc1nn(-c2cccc(S(N)(=O)=O)c2)c(=O)[c-]1/N=N\c1cc([N+](=O)[O-])ccc1O.Cc1nn(-c2cccc(S(N)(=O)=O)c2)c(=O)[c-]1/N=N\c1cc([N+](=O)[O-])ccc1O.[Cr].[Na+]
• InChI: InChI=1S/2C16H13N6O6S.Cr.Na/c2*1-9-15(19-18-13-8-11(22(25)26)5-6-14(13)23)16(24)21(20-9)10-3-2-4-12(7-10)29(17,27)28;;/h2*2-8,23H,1H3,(H2,17,27,28);;/q2*-1;;+1/b2*19-18-
• InChIKey: LEHIOMVFEGTECJ-QTNMPBSGSA-N
• XLogP: 0.87
• TPSA: 366.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	909.75
LogP ≤ 5	0.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;chromium;bis(3-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonamide)?

The IUPAC name of sodium;chromium;bis(3-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonamide) (CID 91809143) is sodium;chromium;bis(3-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonamide).

What is the SMILES notation for sodium;chromium;bis(3-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonamide)?

The canonical SMILES for sodium;chromium;bis(3-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonamide) is Cc1nn(-c2cccc(S(N)(=O)=O)c2)c(=O)[c-]1/N=N\c1cc([N+](=O)[O-])ccc1O.Cc1nn(-c2cccc(S(N)(=O)=O)c2)c(=O)[c-]1/N=N\c1cc([N+](=O)[O-])ccc1O.[Cr].[Na+].

What is the InChIKey of sodium;chromium;bis(3-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonamide)?

The InChIKey is LEHIOMVFEGTECJ-QTNMPBSGSA-N. The full InChI is InChI=1S/2C16H13N6O6S.Cr.Na/c2*1-9-15(19-18-13-8-11(22(25)26)5-6-14(13)23)16(24)21(20-9)10-3-2-4-12(7-10)29(17,27)28;;/h2*2-8,23H,1H3,(H2,17,27,28);;/q2*-1;;+1/b2*19-18-;;.

What are the key properties of sodium;chromium;bis(3-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonamide)?

sodium;chromium;bis(3-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonamide) has a molecular weight of 909.75 g/mol, XLogP of 0.87, 10 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;chromium;bis(3-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonamide) is sourced from PubChem (CID 91809143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).