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

C22H18ClN3O4S — CID 67635009

IUPAC4-[5-benzoyl-2-(2-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CC(O)(C(=O)c3ccccc3)N=C2c2ccccc2Cl)cc1
InChIInChI=1S/C22H18ClN3O4S/c23-19-9-5-4-8-18(19)21-25-22(28,20(27)15-6-2-1-3-7-15)14-26(21)16-10-12-17(13-11-16)31(24,29)30/h1-13,28H,14H2,(H2,24,29,30)
InChIKeyDSETUTPFQORDSR-UHFFFAOYSA-N
MW455.92 g/mol
LogP2.83
Rot. Bonds5

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

4-[5-benzoyl-2-(2-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide (PubChem CID 67635009) has the molecular formula C22H18ClN3O4S and a molecular weight of 455.92 g/mol. Its IUPAC name is 4-[5-benzoyl-2-(2-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-benzoyl-2-(2-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide
PubChem CID67635009
Molecular FormulaC22H18ClN3O4S
Molecular Weight455.92 g/mol
Exact Mass455.07
IUPAC Name4-[5-benzoyl-2-(2-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CC(O)(C(=O)c3ccccc3)N=C2c2ccccc2Cl)cc1
InChIInChI=1S/C22H18ClN3O4S/c23-19-9-5-4-8-18(19)21-25-22(28,20(27)15-6-2-1-3-7-15)14-26(21)16-10-12-17(13-11-16)31(24,29)30/h1-13,28H,14H2,(H2,24,29,30)
InChIKeyDSETUTPFQORDSR-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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Related Compounds

4-[5-benzoyl-2-(4-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide
CID 22998229
4-[3-(4-chlorophenyl)-5-ethyl-5-hydroxy-4H-imidazol-2-yl]benzenesulfonamide
CID 22997777
4-[5-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
CID 162579127
4-[2-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
CID 22998209
4-[5-(2-chlorophenyl)-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide
CID 67760171
4-[2-(3-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
CID 22998065
4-benzoylbenzenesulfonamide
CID 70209200
4-[2-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
CID 22998217
4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide
CID 146048142
1-[2-(4-chlorophenyl)-5-hydroxy-3-(4-methylsulfonylphenyl)-4H-imidazol-5-yl]heptan-1-one
CID 22998051
4-[3-(2-chlorophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 3049671
4-(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzenesulfonamide
CID 21192867

Frequently Asked Questions

What is the IUPAC name of 4-[5-benzoyl-2-(2-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[5-benzoyl-2-(2-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide (CID 67635009) is 4-[5-benzoyl-2-(2-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-benzoyl-2-(2-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-benzoyl-2-(2-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2CC(O)(C(=O)c3ccccc3)N=C2c2ccccc2Cl)cc1.
What is the InChIKey of 4-[5-benzoyl-2-(2-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide?
The InChIKey is DSETUTPFQORDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O4S/c23-19-9-5-4-8-18(19)21-25-22(28,20(27)15-6-2-1-3-7-15)14-26(21)16-10-12-17(13-11-16)31(24,29)30/h1-13,28H,14H2,(H2,24,29,30).
What are the key properties of 4-[5-benzoyl-2-(2-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide?
4-[5-benzoyl-2-(2-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-(2-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 67635009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).