2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol

C26H18N4O10S — CID 3683994

IUPAC2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/c2cc(S(=O)(=O)c3ccc(O)c(/N=C/c4cc([N+](=O)[O-])ccc4O)c3)ccc2O)c1
InChIInChI=1S/C26H18N4O10S/c31-23-5-1-17(29(35)36)9-15(23)13-27-21-11-19(3-7-25(21)33)41(39,40)20-4-8-26(34)22(12-20)28-14-16-10-18(30(37)38)2-6-24(16)32/h1-14,31-34H/b27-13+,28-14+
InChIKeyRSCVQAQKQDLZFF-OCHFTUDZSA-N
MW578.52 g/mol
LogP4.66
Rot. Bonds8

About 2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol

2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol (PubChem CID 3683994) has the molecular formula C26H18N4O10S and a molecular weight of 578.52 g/mol. Its IUPAC name is 2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol
PubChem CID3683994
Molecular FormulaC26H18N4O10S
Molecular Weight578.52 g/mol
Exact Mass578.07
IUPAC Name2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/c2cc(S(=O)(=O)c3ccc(O)c(/N=C/c4cc([N+](=O)[O-])ccc4O)c3)ccc2O)c1
InChIInChI=1S/C26H18N4O10S/c31-23-5-1-17(29(35)36)9-15(23)13-27-21-11-19(3-7-25(21)33)41(39,40)20-4-8-26(34)22(12-20)28-14-16-10-18(30(37)38)2-6-24(16)32/h1-14,31-34H/b27-13+,28-14+
InChIKeyRSCVQAQKQDLZFF-OCHFTUDZSA-N
XLogP4.66
TPSA226.06 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.52
LogP ≤ 54.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol 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

2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol
CID 2838677
3-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methoxy-N,N-dimethylbenzenesulfonamide
CID 135595872
2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol
CID 3111519
4-nitro-2-[(4-nitrophenyl)methylideneamino]phenol
CID 4006870
2-[(2,5-dichlorophenyl)iminomethyl]-4-nitrophenol
CID 690802
2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol
CID 135595304
2-[(3-methylsulfonylphenyl)iminomethyl]-4-nitrophenol
CID 135855366
4-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonic acid
CID 135625932
4-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 4646161
3-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methylbenzoic acid
CID 137085922
2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol
CID 4595228
2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol
CID 135595595

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol?
The IUPAC name of 2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol (CID 3683994) is 2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol.
What is the SMILES notation for 2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol?
The canonical SMILES for 2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol is O=[N+]([O-])c1ccc(O)c(/C=N/c2cc(S(=O)(=O)c3ccc(O)c(/N=C/c4cc([N+](=O)[O-])ccc4O)c3)ccc2O)c1.
What is the InChIKey of 2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol?
The InChIKey is RSCVQAQKQDLZFF-OCHFTUDZSA-N. The full InChI is InChI=1S/C26H18N4O10S/c31-23-5-1-17(29(35)36)9-15(23)13-27-21-11-19(3-7-25(21)33)41(39,40)20-4-8-26(34)22(12-20)28-14-16-10-18(30(37)38)2-6-24(16)32/h1-14,31-34H/b27-13+,28-14+.
What are the key properties of 2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol?
2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol has a molecular weight of 578.52 g/mol, XLogP of 4.66, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol is sourced from PubChem (CID 3683994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).