4-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]benzenesulfonamide

C22H17N3O3S — CID 164620800

IUPAC4-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2)cc1
InChIInChI=1S/C22H17N3O3S/c23-29(27,28)19-13-11-18(12-14-19)25-21(17-9-5-2-6-10-17)24-20(22(25)26)15-16-7-3-1-4-8-16/h1-15H,(H2,23,27,28)/b20-15+
InChIKeyXNTTUWFYHWCZHH-HMMYKYKNSA-N
MW403.46 g/mol
LogP3.17
Rot. Bonds4

About 4-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]benzenesulfonamide

4-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]benzenesulfonamide (PubChem CID 164620800) has the molecular formula C22H17N3O3S and a molecular weight of 403.46 g/mol. Its IUPAC name is 4-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]benzenesulfonamide
PubChem CID164620800
Molecular FormulaC22H17N3O3S
Molecular Weight403.46 g/mol
Exact Mass403.10
IUPAC Name4-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2)cc1
InChIInChI=1S/C22H17N3O3S/c23-29(27,28)19-13-11-18(12-14-19)25-21(17-9-5-2-6-10-17)24-20(22(25)26)15-16-7-3-1-4-8-16/h1-15H,(H2,23,27,28)/b20-15+
InChIKeyXNTTUWFYHWCZHH-HMMYKYKNSA-N
XLogP3.17
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.17
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)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]benzenesulfonamide (CID 164620800) is 4-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2)cc1.
What is the InChIKey of 4-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]benzenesulfonamide?
The InChIKey is XNTTUWFYHWCZHH-HMMYKYKNSA-N. The full InChI is InChI=1S/C22H17N3O3S/c23-29(27,28)19-13-11-18(12-14-19)25-21(17-9-5-2-6-10-17)24-20(22(25)26)15-16-7-3-1-4-8-16/h1-15H,(H2,23,27,28)/b20-15+.
What are the key properties of 4-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]benzenesulfonamide?
4-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]benzenesulfonamide has a molecular weight of 403.46 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 164620800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).