[4-[(E)-[(2,4-dimethylphenyl)sulfonylhydrazinylidene]methyl]phenyl] acetate

C17H18N2O4S — CID 110517864

IUPAC[4-[(E)-[(2,4-dimethylphenyl)sulfonylhydrazinylidene]methyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C17H18N2O4S/c1-12-4-9-17(13(2)10-12)24(21,22)19-18-11-15-5-7-16(8-6-15)23-14(3)20/h4-11,19H,1-3H3/b18-11+
InChIKeyAJFZVLXLZFZYIL-WOJGMQOQSA-N
MW346.41 g/mol
LogP2.54
Rot. Bonds5

About [4-[(E)-[(2,4-dimethylphenyl)sulfonylhydrazinylidene]methyl]phenyl] acetate

[4-[(E)-[(2,4-dimethylphenyl)sulfonylhydrazinylidene]methyl]phenyl] acetate (PubChem CID 110517864) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is [4-[(E)-[(2,4-dimethylphenyl)sulfonylhydrazinylidene]methyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(E)-[(2,4-dimethylphenyl)sulfonylhydrazinylidene]methyl]phenyl] acetate
PubChem CID110517864
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name[4-[(E)-[(2,4-dimethylphenyl)sulfonylhydrazinylidene]methyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C17H18N2O4S/c1-12-4-9-17(13(2)10-12)24(21,22)19-18-11-15-5-7-16(8-6-15)23-14(3)20/h4-11,19H,1-3H3/b18-11+
InChIKeyAJFZVLXLZFZYIL-WOJGMQOQSA-N
XLogP2.54
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzenesulfonamide
CID 110517867
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517753
N-[(E)-(3-methoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517919
N-[(E)-(3-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517904
N-[(E)-(3-butoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517879
[4-[(E)-[(2-methoxy-5-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate
CID 110518046
2,4-dimethyl-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide
CID 110517932
N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6906878
[4-[(E)-[(2,4-dimethoxyphenyl)sulfonylhydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate
CID 17310876
N-[[4-(dimethylamino)phenyl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 2094275
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892737
[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
CID 5439954

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-[(2,4-dimethylphenyl)sulfonylhydrazinylidene]methyl]phenyl] acetate?
The IUPAC name of [4-[(E)-[(2,4-dimethylphenyl)sulfonylhydrazinylidene]methyl]phenyl] acetate (CID 110517864) is [4-[(E)-[(2,4-dimethylphenyl)sulfonylhydrazinylidene]methyl]phenyl] acetate.
What is the SMILES notation for [4-[(E)-[(2,4-dimethylphenyl)sulfonylhydrazinylidene]methyl]phenyl] acetate?
The canonical SMILES for [4-[(E)-[(2,4-dimethylphenyl)sulfonylhydrazinylidene]methyl]phenyl] acetate is CC(=O)Oc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2C)cc1.
What is the InChIKey of [4-[(E)-[(2,4-dimethylphenyl)sulfonylhydrazinylidene]methyl]phenyl] acetate?
The InChIKey is AJFZVLXLZFZYIL-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-12-4-9-17(13(2)10-12)24(21,22)19-18-11-15-5-7-16(8-6-15)23-14(3)20/h4-11,19H,1-3H3/b18-11+.
What are the key properties of [4-[(E)-[(2,4-dimethylphenyl)sulfonylhydrazinylidene]methyl]phenyl] acetate?
[4-[(E)-[(2,4-dimethylphenyl)sulfonylhydrazinylidene]methyl]phenyl] acetate has a molecular weight of 346.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-[(2,4-dimethylphenyl)sulfonylhydrazinylidene]methyl]phenyl] acetate is sourced from PubChem (CID 110517864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).