[2-(phenyliminomethyl)phenyl] benzenesulfonate

C19H15NO3S — CID 126219717

IUPAC[2-(phenyliminomethyl)phenyl] benzenesulfonate
SMILESO=S(=O)(Oc1ccccc1/C=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15NO3S/c21-24(22,18-12-5-2-6-13-18)23-19-14-8-7-9-16(19)15-20-17-10-3-1-4-11-17/h1-15H/b20-15+
InChIKeyPLHUFVWFELGURW-HMMYKYKNSA-N
MW337.40 g/mol
LogP4.20
Rot. Bonds5

About [2-(phenyliminomethyl)phenyl] benzenesulfonate

[2-(phenyliminomethyl)phenyl] benzenesulfonate (PubChem CID 126219717) has the molecular formula C19H15NO3S and a molecular weight of 337.40 g/mol. Its IUPAC name is [2-(phenyliminomethyl)phenyl] benzenesulfonate.

Molecular Properties

Compound Name[2-(phenyliminomethyl)phenyl] benzenesulfonate
PubChem CID126219717
Molecular FormulaC19H15NO3S
Molecular Weight337.40 g/mol
Exact Mass337.08
IUPAC Name[2-(phenyliminomethyl)phenyl] benzenesulfonate
SMILESO=S(=O)(Oc1ccccc1/C=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15NO3S/c21-24(22,18-12-5-2-6-13-18)23-19-14-8-7-9-16(19)15-20-17-10-3-1-4-11-17/h1-15H/b20-15+
InChIKeyPLHUFVWFELGURW-HMMYKYKNSA-N
XLogP4.20
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

[2-[(2,3-dimethylphenyl)iminomethyl]phenyl] benzenesulfonate
CID 126218820
[2,4-dibromo-6-(phenyliminomethyl)phenyl] benzenesulfonate
CID 126216804
ethane;1-(2-methoxyphenyl)-N-phenylmethanimine
CID 176714892
N-phenyl-1-[2-[[2-(phenyliminomethyl)phenoxy]methoxy]phenyl]methanimine
CID 14715139
[2,6-dichloro-4-(phenyliminomethyl)phenyl] benzenesulfonate
CID 126219487
[2-[(dimethylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate
CID 78614107
[2-[(E)-hydrazinylidenemethyl]phenyl] 4-(trifluoromethyl)benzenesulfonate
CID 22185544
1-(2-ethoxyphenyl)-N-phenylmethanimine
CID 961492
[2-(phenyliminomethyl)phenoxy] thiohypofluorite
CID 118561769
1-(2-methoxyphenyl)-N-phenylmethanimine;trichloroiron
CID 21342767
(2-formylphenyl) 4-fluorobenzenesulfonate
CID 14188802
[2,4-dibromo-6-(phenyliminomethyl)phenyl] 4-chlorobenzenesulfonate
CID 126218700

Frequently Asked Questions

What is the IUPAC name of [2-(phenyliminomethyl)phenyl] benzenesulfonate?
The IUPAC name of [2-(phenyliminomethyl)phenyl] benzenesulfonate (CID 126219717) is [2-(phenyliminomethyl)phenyl] benzenesulfonate.
What is the SMILES notation for [2-(phenyliminomethyl)phenyl] benzenesulfonate?
The canonical SMILES for [2-(phenyliminomethyl)phenyl] benzenesulfonate is O=S(=O)(Oc1ccccc1/C=N/c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(phenyliminomethyl)phenyl] benzenesulfonate?
The InChIKey is PLHUFVWFELGURW-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H15NO3S/c21-24(22,18-12-5-2-6-13-18)23-19-14-8-7-9-16(19)15-20-17-10-3-1-4-11-17/h1-15H/b20-15+.
What are the key properties of [2-(phenyliminomethyl)phenyl] benzenesulfonate?
[2-(phenyliminomethyl)phenyl] benzenesulfonate has a molecular weight of 337.40 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phenyliminomethyl)phenyl] benzenesulfonate is sourced from PubChem (CID 126219717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).