1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]sulfonylphenyl]methanimine

C26H16Cl4N2O2S — CID 3091569

IUPAC1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]sulfonylphenyl]methanimine
SMILESO=S(=O)(c1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1)c1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C26H16Cl4N2O2S/c27-19-3-1-17(25(29)13-19)15-31-21-5-9-23(10-6-21)35(33,34)24-11-7-22(8-12-24)32-16-18-2-4-20(28)14-26(18)30/h1-16H/b31-15+,32-16+
InChIKeyBEPVJIBHXRZYAZ-IHXWQEJPSA-N
MW562.31 g/mol
LogP8.63
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]sulfonylphenyl]methanimine

1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]sulfonylphenyl]methanimine (PubChem CID 3091569) has the molecular formula C26H16Cl4N2O2S and a molecular weight of 562.31 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]sulfonylphenyl]methanimine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]sulfonylphenyl]methanimine
PubChem CID3091569
Molecular FormulaC26H16Cl4N2O2S
Molecular Weight562.31 g/mol
Exact Mass559.97
IUPAC Name1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]sulfonylphenyl]methanimine
SMILESO=S(=O)(c1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1)c1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C26H16Cl4N2O2S/c27-19-3-1-17(25(29)13-19)15-31-21-5-9-23(10-6-21)35(33,34)24-11-7-22(8-12-24)32-16-18-2-4-20(28)14-26(18)30/h1-16H/b31-15+,32-16+
InChIKeyBEPVJIBHXRZYAZ-IHXWQEJPSA-N
XLogP8.63
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.31
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)methanimine
CID 3629789
4-[(2,4-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide
CID 28589307
1-(2,4-dichlorophenyl)-N-(3,4-dimethoxyphenyl)methanimine
CID 5070824
N-(4-chlorophenyl)-1-(2,4,6-trichlorophenyl)methanimine
CID 23329324
4-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 50883758
2,4-dibromo-6-[[4-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol
CID 4655751
N-[(2,4-dichlorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 668213
1-(2,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)methanimine
CID 3899999
N-[(2,4-dichlorophenyl)methylideneamino]methanesulfonamide
CID 867204
2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 3279697
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzenesulfonamide
CID 5387404
[3-[(2,4-dichlorophenyl)methylideneamino]phenyl]methanol
CID 793154

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]sulfonylphenyl]methanimine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]sulfonylphenyl]methanimine (CID 3091569) is 1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]sulfonylphenyl]methanimine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]sulfonylphenyl]methanimine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]sulfonylphenyl]methanimine is O=S(=O)(c1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1)c1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]sulfonylphenyl]methanimine?
The InChIKey is BEPVJIBHXRZYAZ-IHXWQEJPSA-N. The full InChI is InChI=1S/C26H16Cl4N2O2S/c27-19-3-1-17(25(29)13-19)15-31-21-5-9-23(10-6-21)35(33,34)24-11-7-22(8-12-24)32-16-18-2-4-20(28)14-26(18)30/h1-16H/b31-15+,32-16+.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]sulfonylphenyl]methanimine?
1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]sulfonylphenyl]methanimine has a molecular weight of 562.31 g/mol, XLogP of 8.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]sulfonylphenyl]methanimine is sourced from PubChem (CID 3091569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).