1-pyridin-4-yl-N-[4-[4-(pyridin-4-ylmethylideneamino)phenyl]sulfonylphenyl]methanimine

C24H18N4O2S — CID 3654714

IUPAC1-pyridin-4-yl-N-[4-[4-(pyridin-4-ylmethylideneamino)phenyl]sulfonylphenyl]methanimine
SMILESO=S(=O)(c1ccc(/N=C/c2ccncc2)cc1)c1ccc(/N=C/c2ccncc2)cc1
InChIInChI=1S/C24H18N4O2S/c29-31(30,23-5-1-21(2-6-23)27-17-19-9-13-25-14-10-19)24-7-3-22(4-8-24)28-18-20-11-15-26-16-12-20/h1-18H/b27-17+,28-18+
InChIKeyIUWNPWXBAMCEQL-XUIWWLCJSA-N
MW426.50 g/mol
LogP4.81
Rot. Bonds6

About 1-pyridin-4-yl-N-[4-[4-(pyridin-4-ylmethylideneamino)phenyl]sulfonylphenyl]methanimine

1-pyridin-4-yl-N-[4-[4-(pyridin-4-ylmethylideneamino)phenyl]sulfonylphenyl]methanimine (PubChem CID 3654714) has the molecular formula C24H18N4O2S and a molecular weight of 426.50 g/mol. Its IUPAC name is 1-pyridin-4-yl-N-[4-[4-(pyridin-4-ylmethylideneamino)phenyl]sulfonylphenyl]methanimine.

Molecular Properties

Compound Name1-pyridin-4-yl-N-[4-[4-(pyridin-4-ylmethylideneamino)phenyl]sulfonylphenyl]methanimine
PubChem CID3654714
Molecular FormulaC24H18N4O2S
Molecular Weight426.50 g/mol
Exact Mass426.12
IUPAC Name1-pyridin-4-yl-N-[4-[4-(pyridin-4-ylmethylideneamino)phenyl]sulfonylphenyl]methanimine
SMILESO=S(=O)(c1ccc(/N=C/c2ccncc2)cc1)c1ccc(/N=C/c2ccncc2)cc1
InChIInChI=1S/C24H18N4O2S/c29-31(30,23-5-1-21(2-6-23)27-17-19-9-13-25-14-10-19)24-7-3-22(4-8-24)28-18-20-11-15-26-16-12-20/h1-18H/b27-17+,28-18+
InChIKeyIUWNPWXBAMCEQL-XUIWWLCJSA-N
XLogP4.81
TPSA84.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-N-[4-[4-(pyridin-4-ylmethylideneamino)phenyl]sulfonylphenyl]methanimine?
The IUPAC name of 1-pyridin-4-yl-N-[4-[4-(pyridin-4-ylmethylideneamino)phenyl]sulfonylphenyl]methanimine (CID 3654714) is 1-pyridin-4-yl-N-[4-[4-(pyridin-4-ylmethylideneamino)phenyl]sulfonylphenyl]methanimine.
What is the SMILES notation for 1-pyridin-4-yl-N-[4-[4-(pyridin-4-ylmethylideneamino)phenyl]sulfonylphenyl]methanimine?
The canonical SMILES for 1-pyridin-4-yl-N-[4-[4-(pyridin-4-ylmethylideneamino)phenyl]sulfonylphenyl]methanimine is O=S(=O)(c1ccc(/N=C/c2ccncc2)cc1)c1ccc(/N=C/c2ccncc2)cc1.
What is the InChIKey of 1-pyridin-4-yl-N-[4-[4-(pyridin-4-ylmethylideneamino)phenyl]sulfonylphenyl]methanimine?
The InChIKey is IUWNPWXBAMCEQL-XUIWWLCJSA-N. The full InChI is InChI=1S/C24H18N4O2S/c29-31(30,23-5-1-21(2-6-23)27-17-19-9-13-25-14-10-19)24-7-3-22(4-8-24)28-18-20-11-15-26-16-12-20/h1-18H/b27-17+,28-18+.
What are the key properties of 1-pyridin-4-yl-N-[4-[4-(pyridin-4-ylmethylideneamino)phenyl]sulfonylphenyl]methanimine?
1-pyridin-4-yl-N-[4-[4-(pyridin-4-ylmethylideneamino)phenyl]sulfonylphenyl]methanimine has a molecular weight of 426.50 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-N-[4-[4-(pyridin-4-ylmethylideneamino)phenyl]sulfonylphenyl]methanimine is sourced from PubChem (CID 3654714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).