4-[(4E)-2-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-5-oxoimidazol-1-yl]benzenesulfonamide

C22H15Cl2N3O3S — CID 126842940

IUPAC4-[(4E)-2-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-5-oxoimidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H15Cl2N3O3S/c23-16-5-1-14(2-6-16)13-20-22(28)27(18-9-11-19(12-10-18)31(25,29)30)21(26-20)15-3-7-17(24)8-4-15/h1-13H,(H2,25,29,30)/b20-13+
InChIKeyBOQZBNGIJCPYSZ-DEDYPNTBSA-N
MW472.35 g/mol
LogP4.48
Rot. Bonds4

About 4-[(4E)-2-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-5-oxoimidazol-1-yl]benzenesulfonamide

4-[(4E)-2-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-5-oxoimidazol-1-yl]benzenesulfonamide (PubChem CID 126842940) has the molecular formula C22H15Cl2N3O3S and a molecular weight of 472.35 g/mol. Its IUPAC name is 4-[(4E)-2-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-5-oxoimidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4E)-2-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-5-oxoimidazol-1-yl]benzenesulfonamide
PubChem CID126842940
Molecular FormulaC22H15Cl2N3O3S
Molecular Weight472.35 g/mol
Exact Mass471.02
IUPAC Name4-[(4E)-2-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-5-oxoimidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H15Cl2N3O3S/c23-16-5-1-14(2-6-16)13-20-22(28)27(18-9-11-19(12-10-18)31(25,29)30)21(26-20)15-3-7-17(24)8-4-15/h1-13H,(H2,25,29,30)/b20-13+
InChIKeyBOQZBNGIJCPYSZ-DEDYPNTBSA-N
XLogP4.48
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.35
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4E)-2-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-5-oxoimidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[(4E)-2-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-5-oxoimidazol-1-yl]benzenesulfonamide (CID 126842940) is 4-[(4E)-2-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-5-oxoimidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[(4E)-2-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-5-oxoimidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[(4E)-2-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-5-oxoimidazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4E)-2-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-5-oxoimidazol-1-yl]benzenesulfonamide?
The InChIKey is BOQZBNGIJCPYSZ-DEDYPNTBSA-N. The full InChI is InChI=1S/C22H15Cl2N3O3S/c23-16-5-1-14(2-6-16)13-20-22(28)27(18-9-11-19(12-10-18)31(25,29)30)21(26-20)15-3-7-17(24)8-4-15/h1-13H,(H2,25,29,30)/b20-13+.
What are the key properties of 4-[(4E)-2-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-5-oxoimidazol-1-yl]benzenesulfonamide?
4-[(4E)-2-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-5-oxoimidazol-1-yl]benzenesulfonamide has a molecular weight of 472.35 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4E)-2-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-5-oxoimidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 126842940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).