2,4-dibromo-6-[[4-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol

C26H16Br4N2O4S — CID 4655751

IUPAC2,4-dibromo-6-[[4-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol
SMILESO=S(=O)(c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1)c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C26H16Br4N2O4S/c27-17-9-15(25(33)23(29)11-17)13-31-19-1-5-21(6-2-19)37(35,36)22-7-3-20(4-8-22)32-14-16-10-18(28)12-24(30)26(16)34/h1-14,33-34H/b31-13+,32-14+
InChIKeyDJCGFQFHIKUUMO-GCFMLEDASA-N
MW772.11 g/mol
LogP8.48
Rot. Bonds6

About 2,4-dibromo-6-[[4-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol

2,4-dibromo-6-[[4-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol (PubChem CID 4655751) has the molecular formula C26H16Br4N2O4S and a molecular weight of 772.11 g/mol. Its IUPAC name is 2,4-dibromo-6-[[4-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[[4-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol
PubChem CID4655751
Molecular FormulaC26H16Br4N2O4S
Molecular Weight772.11 g/mol
Exact Mass767.76
IUPAC Name2,4-dibromo-6-[[4-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol
SMILESO=S(=O)(c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1)c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C26H16Br4N2O4S/c27-17-9-15(25(33)23(29)11-17)13-31-19-1-5-21(6-2-19)37(35,36)22-7-3-20(4-8-22)32-14-16-10-18(28)12-24(30)26(16)34/h1-14,33-34H/b31-13+,32-14+
InChIKeyDJCGFQFHIKUUMO-GCFMLEDASA-N
XLogP8.48
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.11
LogP ≤ 58.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine
CID 4572847
2,4-dibromo-6-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
CID 135778678
N-(aminomethyl)-4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 142691931
2,4-dibromo-6-[[4-[2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]propan-2-yl]phenyl]iminomethyl]phenol
CID 4996119
4-bromo-2-[[4-[4-[(2-fluorophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol
CID 135986923
2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol
CID 1286585
4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonic acid
CID 4779411
2,4-dibromo-6-[(3-nitrophenyl)iminomethyl]phenol
CID 1286595
ethyl 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzoate
CID 1286584
[2,4-dibromo-6-[(4-methylphenyl)iminomethyl]phenyl] 4-methylbenzenesulfonate
CID 126218382
2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide
CID 136934908

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[[4-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[[4-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol (CID 4655751) is 2,4-dibromo-6-[[4-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[[4-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[[4-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol is O=S(=O)(c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1)c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1.
What is the InChIKey of 2,4-dibromo-6-[[4-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol?
The InChIKey is DJCGFQFHIKUUMO-GCFMLEDASA-N. The full InChI is InChI=1S/C26H16Br4N2O4S/c27-17-9-15(25(33)23(29)11-17)13-31-19-1-5-21(6-2-19)37(35,36)22-7-3-20(4-8-22)32-14-16-10-18(28)12-24(30)26(16)34/h1-14,33-34H/b31-13+,32-14+.
What are the key properties of 2,4-dibromo-6-[[4-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol?
2,4-dibromo-6-[[4-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol has a molecular weight of 772.11 g/mol, XLogP of 8.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[[4-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol is sourced from PubChem (CID 4655751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).