sodium;chromium;4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]methanesulfonamide

C33H27CrN7NaO10S2+ — CID 170840846

IUPACsodium;chromium;4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc2ccc(O)c(/N=N/c3cc([N+](=O)[O-])ccc3O)c12.NS(=O)(=O)c1ccc(O)c(/N=N/c2c(O)ccc3ccccc23)c1.[Cr].[Na+]
InChIInChI=1S/C17H14N4O6S.C16H13N3O4S.Cr.Na/c1-28(26,27)20-12-4-2-3-10-5-7-15(23)17(16(10)12)19-18-13-9-11(21(24)25)6-8-14(13)22;17-24(22,23)11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21;;/h2-9,20,22-23H,1H3;1-9,20-21H,(H2,17,22,23);;/q;;;+1/b2*19-18+;;
InChIKeyQJMQILGPGURMPW-HFJGHOORSA-N
MW820.74 g/mol
LogP4.26
Rot. Bonds8

About sodium;chromium;4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]methanesulfonamide

sodium;chromium;4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]methanesulfonamide (PubChem CID 170840846) has the molecular formula C33H27CrN7NaO10S2+ and a molecular weight of 820.74 g/mol. Its IUPAC name is sodium;chromium;4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]methanesulfonamide.

Molecular Properties

Compound Namesodium;chromium;4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]methanesulfonamide
PubChem CID170840846
Molecular FormulaC33H27CrN7NaO10S2+
Molecular Weight820.74 g/mol
Exact Mass820.06
IUPAC Namesodium;chromium;4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc2ccc(O)c(/N=N/c3cc([N+](=O)[O-])ccc3O)c12.NS(=O)(=O)c1ccc(O)c(/N=N/c2c(O)ccc3ccccc23)c1.[Cr].[Na+]
InChIInChI=1S/C17H14N4O6S.C16H13N3O4S.Cr.Na/c1-28(26,27)20-12-4-2-3-10-5-7-15(23)17(16(10)12)19-18-13-9-11(21(24)25)6-8-14(13)22;17-24(22,23)11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21;;/h2-9,20,22-23H,1H3;1-9,20-21H,(H2,17,22,23);;/q;;;+1/b2*19-18+;;
InChIKeyQJMQILGPGURMPW-HFJGHOORSA-N
XLogP4.26
TPSA279.83 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500820.74
LogP ≤ 54.26
H-Bond Donors ≤ 56
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'}

Analyze sodium;chromium;4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]methanesulfonamide 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

disodium;chromium(3+);3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]acetamide
CID 156599340
1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;iron
CID 167455353
sodium;bis(N-[8-[(4-chloro-2-hydroxy-5-methoxyphenyl)diazenyl]-7-hydroxynaphthalen-1-yl]methanesulfonamide);chromium
CID 163360365
sodium;cobalt;bis(1-[(5-ethylsulfonyl-2-hydroxyphenyl)diazenyl]naphthalen-2-ol)
CID 170839898
sodium;bis(8-amino-1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol);chromium
CID 170844440
sodium 2-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-nitrobenzenesulfonate
CID 136784995
sodium;cobalt;[4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-2-id-1-yl]phenyl]sulfonylazanium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
CID 170846797
4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonic acid
CID 19238
calcium bis(8-[(2-ethyl-5-nitrophenyl)diazenyl]-7-hydroxynaphthalene-2-sulfonate)
CID 136855838
chromium;hydron;bis(methyl N-[7-hydroxy-8-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]carbamate)
CID 163360241
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;chromium;[3-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]phenyl]sulfonylazanium;2-[[5-methyl-3-oxo-2-(3-sulfamoylphenyl)-1H-pyrazol-4-yl]diazenyl]-4-nitrophenolate
CID 170840847

Frequently Asked Questions

What is the IUPAC name of sodium;chromium;4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]methanesulfonamide?
The IUPAC name of sodium;chromium;4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]methanesulfonamide (CID 170840846) is sodium;chromium;4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]methanesulfonamide.
What is the SMILES notation for sodium;chromium;4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]methanesulfonamide?
The canonical SMILES for sodium;chromium;4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]methanesulfonamide is CS(=O)(=O)Nc1cccc2ccc(O)c(/N=N/c3cc([N+](=O)[O-])ccc3O)c12.NS(=O)(=O)c1ccc(O)c(/N=N/c2c(O)ccc3ccccc23)c1.[Cr].[Na+].
What is the InChIKey of sodium;chromium;4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]methanesulfonamide?
The InChIKey is QJMQILGPGURMPW-HFJGHOORSA-N. The full InChI is InChI=1S/C17H14N4O6S.C16H13N3O4S.Cr.Na/c1-28(26,27)20-12-4-2-3-10-5-7-15(23)17(16(10)12)19-18-13-9-11(21(24)25)6-8-14(13)22;17-24(22,23)11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21;;/h2-9,20,22-23H,1H3;1-9,20-21H,(H2,17,22,23);;/q;;;+1/b2*19-18+;;.
What are the key properties of sodium;chromium;4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]methanesulfonamide?
sodium;chromium;4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]methanesulfonamide has a molecular weight of 820.74 g/mol, XLogP of 4.26, 8 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;chromium;4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]methanesulfonamide is sourced from PubChem (CID 170840846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).