2-[(4-bromophenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetaldehyde

C15H13BrN2O3S — CID 2320635

IUPAC2-[(4-bromophenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetaldehyde
SMILESCc1ccc(S(=O)(=O)C(C=O)=NNc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H13BrN2O3S/c1-11-2-8-14(9-3-11)22(20,21)15(10-19)18-17-13-6-4-12(16)5-7-13/h2-10,17H,1H3
InChIKeyDVXGIULRDCRUMA-UHFFFAOYSA-N
MW381.25 g/mol
LogP3.16
Rot. Bonds4

About 2-[(4-bromophenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetaldehyde

2-[(4-bromophenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetaldehyde (PubChem CID 2320635) has the molecular formula C15H13BrN2O3S and a molecular weight of 381.25 g/mol. Its IUPAC name is 2-[(4-bromophenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetaldehyde.

Molecular Properties

Compound Name2-[(4-bromophenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetaldehyde
PubChem CID2320635
Molecular FormulaC15H13BrN2O3S
Molecular Weight381.25 g/mol
Exact Mass379.98
IUPAC Name2-[(4-bromophenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetaldehyde
SMILESCc1ccc(S(=O)(=O)C(C=O)=NNc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H13BrN2O3S/c1-11-2-8-14(9-3-11)22(20,21)15(10-19)18-17-13-6-4-12(16)5-7-13/h2-10,17H,1H3
InChIKeyDVXGIULRDCRUMA-UHFFFAOYSA-N
XLogP3.16
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(4-bromophenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetaldehyde?
The IUPAC name of 2-[(4-bromophenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetaldehyde (CID 2320635) is 2-[(4-bromophenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetaldehyde.
What is the SMILES notation for 2-[(4-bromophenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetaldehyde?
The canonical SMILES for 2-[(4-bromophenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetaldehyde is Cc1ccc(S(=O)(=O)C(C=O)=NNc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetaldehyde?
The InChIKey is DVXGIULRDCRUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3S/c1-11-2-8-14(9-3-11)22(20,21)15(10-19)18-17-13-6-4-12(16)5-7-13/h2-10,17H,1H3.
What are the key properties of 2-[(4-bromophenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetaldehyde?
2-[(4-bromophenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetaldehyde has a molecular weight of 381.25 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetaldehyde is sourced from PubChem (CID 2320635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).