(1E)-1-[(2-hydroxyphenyl)methylidene]-2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine

C21H18N4O4S — CID 135473186

IUPAC(1E)-1-[(2-hydroxyphenyl)methylidene]-2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine
SMILESNC(/N=C/c1ccccc1O)=N\S(=O)(=O)c1ccc(/N=C/c2ccccc2O)cc1
InChIInChI=1S/C21H18N4O4S/c22-21(24-14-16-6-2-4-8-20(16)27)25-30(28,29)18-11-9-17(10-12-18)23-13-15-5-1-3-7-19(15)26/h1-14,26-27H,(H2,22,25)/b23-13+,24-14+
InChIKeyQMDFHPSUVDQODO-RNIAWFEPSA-N
MW422.47 g/mol
LogP2.97
Rot. Bonds5

About (1E)-1-[(2-hydroxyphenyl)methylidene]-2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine

(1E)-1-[(2-hydroxyphenyl)methylidene]-2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine (PubChem CID 135473186) has the molecular formula C21H18N4O4S and a molecular weight of 422.47 g/mol. Its IUPAC name is (1E)-1-[(2-hydroxyphenyl)methylidene]-2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine.

Molecular Properties

Compound Name(1E)-1-[(2-hydroxyphenyl)methylidene]-2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine
PubChem CID135473186
Molecular FormulaC21H18N4O4S
Molecular Weight422.47 g/mol
Exact Mass422.10
IUPAC Name(1E)-1-[(2-hydroxyphenyl)methylidene]-2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine
SMILESNC(/N=C/c1ccccc1O)=N\S(=O)(=O)c1ccc(/N=C/c2ccccc2O)cc1
InChIInChI=1S/C21H18N4O4S/c22-21(24-14-16-6-2-4-8-20(16)27)25-30(28,29)18-11-9-17(10-12-18)23-13-15-5-1-3-7-19(15)26/h1-14,26-27H,(H2,22,25)/b23-13+,24-14+
InChIKeyQMDFHPSUVDQODO-RNIAWFEPSA-N
XLogP2.97
TPSA137.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(2-hydroxyphenyl)methylidene]-4-[(2-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135473169
2-[[4-[4-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]phenyl]phenyl]iminomethyl]phenol
CID 3900677
2-[4-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]phenyl]sulfonylguanidine
CID 135858940
bis(4-[(2-hydroxyphenyl)methylideneamino]benzoate);manganese(2+);methanol
CID 139076652
2-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylguanidine
CID 3878912
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine
CID 4572847
2-[[4-[[4-[(2-hydroxyphenyl)methylideneamino]phenyl]diselanyl]phenyl]iminomethyl]phenol
CID 170941504
2-[[4-(1,2,2-triphenylethenyl)phenyl]iminomethyl]phenol
CID 137230306
2-[[4-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol
CID 135440137
2-[[4-(hydroxymethyl)phenyl]iminomethyl]phenol
CID 139083924
2-[[4-(2-phenylethenyl)phenyl]iminomethyl]phenol
CID 3812353

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(2-hydroxyphenyl)methylidene]-2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine?
The IUPAC name of (1E)-1-[(2-hydroxyphenyl)methylidene]-2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine (CID 135473186) is (1E)-1-[(2-hydroxyphenyl)methylidene]-2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine.
What is the SMILES notation for (1E)-1-[(2-hydroxyphenyl)methylidene]-2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine?
The canonical SMILES for (1E)-1-[(2-hydroxyphenyl)methylidene]-2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine is NC(/N=C/c1ccccc1O)=N\S(=O)(=O)c1ccc(/N=C/c2ccccc2O)cc1.
What is the InChIKey of (1E)-1-[(2-hydroxyphenyl)methylidene]-2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine?
The InChIKey is QMDFHPSUVDQODO-RNIAWFEPSA-N. The full InChI is InChI=1S/C21H18N4O4S/c22-21(24-14-16-6-2-4-8-20(16)27)25-30(28,29)18-11-9-17(10-12-18)23-13-15-5-1-3-7-19(15)26/h1-14,26-27H,(H2,22,25)/b23-13+,24-14+.
What are the key properties of (1E)-1-[(2-hydroxyphenyl)methylidene]-2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine?
(1E)-1-[(2-hydroxyphenyl)methylidene]-2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine has a molecular weight of 422.47 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(2-hydroxyphenyl)methylidene]-2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine is sourced from PubChem (CID 135473186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).