4-[5-benzoyl-2-(4-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide

C22H18ClN3O4S — CID 22998229

IUPAC4-[5-benzoyl-2-(4-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CC(O)(C(=O)c3ccccc3)N=C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18ClN3O4S/c23-17-8-6-16(7-9-17)21-25-22(28,20(27)15-4-2-1-3-5-15)14-26(21)18-10-12-19(13-11-18)31(24,29)30/h1-13,28H,14H2,(H2,24,29,30)
InChIKeyJUABQUNNHHVNLE-UHFFFAOYSA-N
MW455.92 g/mol
LogP2.83
Rot. Bonds5

About 4-[5-benzoyl-2-(4-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide

4-[5-benzoyl-2-(4-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide (PubChem CID 22998229) has the molecular formula C22H18ClN3O4S and a molecular weight of 455.92 g/mol. Its IUPAC name is 4-[5-benzoyl-2-(4-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-benzoyl-2-(4-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide
PubChem CID22998229
Molecular FormulaC22H18ClN3O4S
Molecular Weight455.92 g/mol
Exact Mass455.07
IUPAC Name4-[5-benzoyl-2-(4-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CC(O)(C(=O)c3ccccc3)N=C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18ClN3O4S/c23-17-8-6-16(7-9-17)21-25-22(28,20(27)15-4-2-1-3-5-15)14-26(21)18-10-12-19(13-11-18)31(24,29)30/h1-13,28H,14H2,(H2,24,29,30)
InChIKeyJUABQUNNHHVNLE-UHFFFAOYSA-N
XLogP2.83
TPSA113.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.92
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-benzoyl-2-(4-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[5-benzoyl-2-(4-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide (CID 22998229) is 4-[5-benzoyl-2-(4-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-benzoyl-2-(4-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-benzoyl-2-(4-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2CC(O)(C(=O)c3ccccc3)N=C2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[5-benzoyl-2-(4-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide?
The InChIKey is JUABQUNNHHVNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O4S/c23-17-8-6-16(7-9-17)21-25-22(28,20(27)15-4-2-1-3-5-15)14-26(21)18-10-12-19(13-11-18)31(24,29)30/h1-13,28H,14H2,(H2,24,29,30).
What are the key properties of 4-[5-benzoyl-2-(4-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide?
4-[5-benzoyl-2-(4-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide has a molecular weight of 455.92 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-benzoyl-2-(4-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 22998229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).