(2Z)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-phenylethanone

C20H15BrN2O3S — CID 6514956

IUPAC(2Z)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-phenylethanone
SMILESO=C(/C(=N/Nc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15BrN2O3S/c21-16-11-13-17(14-12-16)22-23-20(19(24)15-7-3-1-4-8-15)27(25,26)18-9-5-2-6-10-18/h1-14,22H/b23-20-
InChIKeySTKXQFUFVPDRSX-ATJXCDBQSA-N
MW443.32 g/mol
LogP4.53
Rot. Bonds5

About (2Z)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-phenylethanone

(2Z)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-phenylethanone (PubChem CID 6514956) has the molecular formula C20H15BrN2O3S and a molecular weight of 443.32 g/mol. Its IUPAC name is (2Z)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-phenylethanone.

Molecular Properties

Compound Name(2Z)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-phenylethanone
PubChem CID6514956
Molecular FormulaC20H15BrN2O3S
Molecular Weight443.32 g/mol
Exact Mass442.00
IUPAC Name(2Z)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-phenylethanone
SMILESO=C(/C(=N/Nc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15BrN2O3S/c21-16-11-13-17(14-12-16)22-23-20(19(24)15-7-3-1-4-8-15)27(25,26)18-9-5-2-6-10-18/h1-14,22H/b23-20-
InChIKeySTKXQFUFVPDRSX-ATJXCDBQSA-N
XLogP4.53
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.32
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-phenylethanone?
The IUPAC name of (2Z)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-phenylethanone (CID 6514956) is (2Z)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-phenylethanone.
What is the SMILES notation for (2Z)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-phenylethanone?
The canonical SMILES for (2Z)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-phenylethanone is O=C(/C(=N/Nc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2Z)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-phenylethanone?
The InChIKey is STKXQFUFVPDRSX-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H15BrN2O3S/c21-16-11-13-17(14-12-16)22-23-20(19(24)15-7-3-1-4-8-15)27(25,26)18-9-5-2-6-10-18/h1-14,22H/b23-20-.
What are the key properties of (2Z)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-phenylethanone?
(2Z)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-phenylethanone has a molecular weight of 443.32 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-phenylethanone is sourced from PubChem (CID 6514956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).