2,4-bis(azanidyl)-5-[(2-hydroxy-5-nitrophenyl)diazenyl]benzenesulfonate;chromium(3+);hydron;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate

C28H19CrN8O10S — CID 171041564

IUPAC2,4-bis(azanidyl)-5-[(2-hydroxy-5-nitrophenyl)diazenyl]benzenesulfonate;chromium(3+);hydron;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate
SMILESO=[N+]([O-])c1ccc(/N=N/c2c([O-])ccc3ccccc23)c([O-])c1.[Cr+3].[H+].[H+].[NH-]c1cc([NH-])c(S(=O)(=O)[O-])cc1/N=N/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C16H11N3O4.C12H9N5O6S.Cr/c20-14-8-5-10-3-1-2-4-12(10)16(14)18-17-13-7-6-11(19(22)23)9-15(13)21;13-7-4-8(14)12(24(21,22)23)5-9(7)15-16-10-3-6(17(19)20)1-2-11(10)18;/h1-9,20-21H;1-5H,(H4-2,13,14,15,16,18,21,22,23);/q;-2;+3/p-1/b18-17+;;
InChIKeyCNZOMHGGKVFOBA-QIKYXUGXSA-M
MW711.57 g/mol
LogP7.52
Rot. Bonds7

About 2,4-bis(azanidyl)-5-[(2-hydroxy-5-nitrophenyl)diazenyl]benzenesulfonate;chromium(3+);hydron;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate

2,4-bis(azanidyl)-5-[(2-hydroxy-5-nitrophenyl)diazenyl]benzenesulfonate;chromium(3+);hydron;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate (PubChem CID 171041564) has the molecular formula C28H19CrN8O10S and a molecular weight of 711.57 g/mol. Its IUPAC name is 2,4-bis(azanidyl)-5-[(2-hydroxy-5-nitrophenyl)diazenyl]benzenesulfonate;chromium(3+);hydron;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate.

Molecular Properties

Compound Name2,4-bis(azanidyl)-5-[(2-hydroxy-5-nitrophenyl)diazenyl]benzenesulfonate;chromium(3+);hydron;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate
PubChem CID171041564
Molecular FormulaC28H19CrN8O10S
Molecular Weight711.57 g/mol
Exact Mass711.03
IUPAC Name2,4-bis(azanidyl)-5-[(2-hydroxy-5-nitrophenyl)diazenyl]benzenesulfonate;chromium(3+);hydron;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate
SMILESO=[N+]([O-])c1ccc(/N=N/c2c([O-])ccc3ccccc23)c([O-])c1.[Cr+3].[H+].[H+].[NH-]c1cc([NH-])c(S(=O)(=O)[O-])cc1/N=N/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C16H11N3O4.C12H9N5O6S.Cr/c20-14-8-5-10-3-1-2-4-12(10)16(14)18-17-13-7-6-11(19(22)23)9-15(13)21;13-7-4-8(14)12(24(21,22)23)5-9(7)15-16-10-3-6(17(19)20)1-2-11(10)18;/h1-9,20-21H;1-5H,(H4-2,13,14,15,16,18,21,22,23);/q;-2;+3/p-1/b18-17+;;
InChIKeyCNZOMHGGKVFOBA-QIKYXUGXSA-M
XLogP7.52
TPSA306.87 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500711.57
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2,4-bis(azanidyl)-5-[(2-hydroxy-5-nitrophenyl)diazenyl]benzenesulfonate;chromium(3+);hydron;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate 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

chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;5-nitro-2-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate
CID 170852043
sodium;chromium(3+);1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate
CID 86290247
chromium(3+);hydron;7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;hydroxide
CID 165360776
chromium(3+);7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;hydrate
CID 170853738
chromium(3+);7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;trihydrate
CID 170854303
1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;iron
CID 167455353
disodium;chromium(3+);3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
CID 156599392
sodium 2-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-nitrobenzenesulfonate
CID 136784995
sodium;7-azanidyl-4-hydroxy-8-[(4-nitro-2-oxidophenyl)diazenyl]-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate;chromium(3+)
CID 165360716
3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate
CID 135573948
4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonic acid
CID 19238
cobalt(3+);1-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalen-2-olate;6-nitro-1-[(2-oxidonaphthalen-1-yl)diazenyl]-4-sulfonaphthalen-2-olate
CID 170841740

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(azanidyl)-5-[(2-hydroxy-5-nitrophenyl)diazenyl]benzenesulfonate;chromium(3+);hydron;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate?
The IUPAC name of 2,4-bis(azanidyl)-5-[(2-hydroxy-5-nitrophenyl)diazenyl]benzenesulfonate;chromium(3+);hydron;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate (CID 171041564) is 2,4-bis(azanidyl)-5-[(2-hydroxy-5-nitrophenyl)diazenyl]benzenesulfonate;chromium(3+);hydron;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate.
What is the SMILES notation for 2,4-bis(azanidyl)-5-[(2-hydroxy-5-nitrophenyl)diazenyl]benzenesulfonate;chromium(3+);hydron;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate?
The canonical SMILES for 2,4-bis(azanidyl)-5-[(2-hydroxy-5-nitrophenyl)diazenyl]benzenesulfonate;chromium(3+);hydron;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate is O=[N+]([O-])c1ccc(/N=N/c2c([O-])ccc3ccccc23)c([O-])c1.[Cr+3].[H+].[H+].[NH-]c1cc([NH-])c(S(=O)(=O)[O-])cc1/N=N/c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2,4-bis(azanidyl)-5-[(2-hydroxy-5-nitrophenyl)diazenyl]benzenesulfonate;chromium(3+);hydron;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate?
The InChIKey is CNZOMHGGKVFOBA-QIKYXUGXSA-M. The full InChI is InChI=1S/C16H11N3O4.C12H9N5O6S.Cr/c20-14-8-5-10-3-1-2-4-12(10)16(14)18-17-13-7-6-11(19(22)23)9-15(13)21;13-7-4-8(14)12(24(21,22)23)5-9(7)15-16-10-3-6(17(19)20)1-2-11(10)18;/h1-9,20-21H;1-5H,(H4-2,13,14,15,16,18,21,22,23);/q;-2;+3/p-1/b18-17+;;.
What are the key properties of 2,4-bis(azanidyl)-5-[(2-hydroxy-5-nitrophenyl)diazenyl]benzenesulfonate;chromium(3+);hydron;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate?
2,4-bis(azanidyl)-5-[(2-hydroxy-5-nitrophenyl)diazenyl]benzenesulfonate;chromium(3+);hydron;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate has a molecular weight of 711.57 g/mol, XLogP of 7.52, 7 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(azanidyl)-5-[(2-hydroxy-5-nitrophenyl)diazenyl]benzenesulfonate;chromium(3+);hydron;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate is sourced from PubChem (CID 171041564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).