N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]sulfonylbenzamide

C28H22N4O6S — CID 135489914

IUPACN-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]sulfonylbenzamide
SMILESO=C(N/N=C\c1ccccc1O)c1ccc(S(=O)(=O)c2ccc(C(=O)N/N=C\c3ccccc3O)cc2)cc1
InChIInChI=1S/C28H22N4O6S/c33-25-7-3-1-5-21(25)17-29-31-27(35)19-9-13-23(14-10-19)39(37,38)24-15-11-20(12-16-24)28(36)32-30-18-22-6-2-4-8-26(22)34/h1-18,33-34H,(H,31,35)(H,32,36)/b29-17-,30-18-
InChIKeyXOZNINFGLCIMPA-LZUTUTKMSA-N
MW542.57 g/mol
LogP3.46
Rot. Bonds8

About N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]sulfonylbenzamide

N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]sulfonylbenzamide (PubChem CID 135489914) has the molecular formula C28H22N4O6S and a molecular weight of 542.57 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]sulfonylbenzamide
PubChem CID135489914
Molecular FormulaC28H22N4O6S
Molecular Weight542.57 g/mol
Exact Mass542.13
IUPAC NameN-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]sulfonylbenzamide
SMILESO=C(N/N=C\c1ccccc1O)c1ccc(S(=O)(=O)c2ccc(C(=O)N/N=C\c3ccccc3O)cc2)cc1
InChIInChI=1S/C28H22N4O6S/c33-25-7-3-1-5-21(25)17-29-31-27(35)19-9-13-23(14-10-19)39(37,38)24-15-11-20(12-16-24)28(36)32-30-18-22-6-2-4-8-26(22)34/h1-18,33-34H,(H,31,35)(H,32,36)/b29-17-,30-18-
InChIKeyXOZNINFGLCIMPA-LZUTUTKMSA-N
XLogP3.46
TPSA157.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.57
LogP ≤ 53.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 827697
N-(benzylideneamino)-4-[4-[(benzylideneamino)carbamoyl]phenyl]sulfonylbenzamide
CID 4301325
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 135606823
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
[4-[[(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-dimethylazanium
CID 146938303
N-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide
CID 155806357
3,5-dihydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135708473
N-[(E)-(2-hydroxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135608250
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136782182
1-N,3-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]-5-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenoxy]benzene-1,3-dicarboxamide
CID 177388501
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 137095702
N-[(2-nitrophenyl)methylideneamino]-4-sulfamoylbenzamide
CID 6737093

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]sulfonylbenzamide?
The IUPAC name of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]sulfonylbenzamide (CID 135489914) is N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]sulfonylbenzamide.
What is the SMILES notation for N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]sulfonylbenzamide?
The canonical SMILES for N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]sulfonylbenzamide is O=C(N/N=C\c1ccccc1O)c1ccc(S(=O)(=O)c2ccc(C(=O)N/N=C\c3ccccc3O)cc2)cc1.
What is the InChIKey of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]sulfonylbenzamide?
The InChIKey is XOZNINFGLCIMPA-LZUTUTKMSA-N. The full InChI is InChI=1S/C28H22N4O6S/c33-25-7-3-1-5-21(25)17-29-31-27(35)19-9-13-23(14-10-19)39(37,38)24-15-11-20(12-16-24)28(36)32-30-18-22-6-2-4-8-26(22)34/h1-18,33-34H,(H,31,35)(H,32,36)/b29-17-,30-18-.
What are the key properties of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]sulfonylbenzamide?
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]sulfonylbenzamide has a molecular weight of 542.57 g/mol, XLogP of 3.46, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]sulfonylbenzamide is sourced from PubChem (CID 135489914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).