2-[[3-[3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-6-methoxyphenol

C28H24N2O6S — CID 135424005

IUPAC2-[[3-[3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/c2cccc(S(=O)(=O)c3cccc(/N=C/c4cccc(OC)c4O)c3)c2)c1O
InChIInChI=1S/C28H24N2O6S/c1-35-25-13-3-7-19(27(25)31)17-29-21-9-5-11-23(15-21)37(33,34)24-12-6-10-22(16-24)30-18-20-8-4-14-26(36-2)28(20)32/h3-18,31-32H,1-2H3/b29-17+,30-18+
InChIKeyODTBAKJEIGKUIQ-YAGSLNJISA-N
MW516.58 g/mol
LogP5.45
Rot. Bonds8

About 2-[[3-[3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-6-methoxyphenol

2-[[3-[3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-6-methoxyphenol (PubChem CID 135424005) has the molecular formula C28H24N2O6S and a molecular weight of 516.58 g/mol. Its IUPAC name is 2-[[3-[3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[3-[3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-6-methoxyphenol
PubChem CID135424005
Molecular FormulaC28H24N2O6S
Molecular Weight516.58 g/mol
Exact Mass516.14
IUPAC Name2-[[3-[3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/c2cccc(S(=O)(=O)c3cccc(/N=C/c4cccc(OC)c4O)c3)c2)c1O
InChIInChI=1S/C28H24N2O6S/c1-35-25-13-3-7-19(27(25)31)17-29-21-9-5-11-23(15-21)37(33,34)24-12-6-10-22(16-24)30-18-20-8-4-14-26(36-2)28(20)32/h3-18,31-32H,1-2H3/b29-17+,30-18+
InChIKeyODTBAKJEIGKUIQ-YAGSLNJISA-N
XLogP5.45
TPSA117.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.58
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[[3-[3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-6-methoxyphenol with MolForge

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Related Compounds

4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 3272383
2-methoxy-6-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 135657437
2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol
CID 135657433
2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol
CID 681274
2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 771801
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol
CID 136702059
2-(9H-fluoren-3-yliminomethyl)-6-methoxyphenol
CID 135596048
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 4545791
2-methoxy-6-[[3-(tetrazol-1-yl)phenyl]iminomethyl]phenol
CID 135758368
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
3-[(2-methoxyphenyl)methylideneamino]benzoic acid
CID 961438

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-6-methoxyphenol?
The IUPAC name of 2-[[3-[3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-6-methoxyphenol (CID 135424005) is 2-[[3-[3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[3-[3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-[[3-[3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-6-methoxyphenol is COc1cccc(/C=N/c2cccc(S(=O)(=O)c3cccc(/N=C/c4cccc(OC)c4O)c3)c2)c1O.
What is the InChIKey of 2-[[3-[3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-6-methoxyphenol?
The InChIKey is ODTBAKJEIGKUIQ-YAGSLNJISA-N. The full InChI is InChI=1S/C28H24N2O6S/c1-35-25-13-3-7-19(27(25)31)17-29-21-9-5-11-23(15-21)37(33,34)24-12-6-10-22(16-24)30-18-20-8-4-14-26(36-2)28(20)32/h3-18,31-32H,1-2H3/b29-17+,30-18+.
What are the key properties of 2-[[3-[3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-6-methoxyphenol?
2-[[3-[3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-6-methoxyphenol has a molecular weight of 516.58 g/mol, XLogP of 5.45, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-6-methoxyphenol is sourced from PubChem (CID 135424005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).