4-[2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-1-yl]ethyl]benzenesulfonamide

C29H24ClN3O2S — CID 171716810

IUPAC4-[2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-1-yl]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCn2c(-c3ccc(Cl)cc3)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C29H24ClN3O2S/c30-25-15-13-24(14-16-25)29-32-27(22-7-3-1-4-8-22)28(23-9-5-2-6-10-23)33(29)20-19-21-11-17-26(18-12-21)36(31,34)35/h1-18H,19-20H2,(H2,31,34,35)
InChIKeyKATOBSBWUBZZAR-UHFFFAOYSA-N
MW514.05 g/mol
LogP6.43
Rot. Bonds7

About 4-[2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-1-yl]ethyl]benzenesulfonamide

4-[2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 171716810) has the molecular formula C29H24ClN3O2S and a molecular weight of 514.05 g/mol. Its IUPAC name is 4-[2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-1-yl]ethyl]benzenesulfonamide
PubChem CID171716810
Molecular FormulaC29H24ClN3O2S
Molecular Weight514.05 g/mol
Exact Mass513.13
IUPAC Name4-[2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-1-yl]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCn2c(-c3ccc(Cl)cc3)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C29H24ClN3O2S/c30-25-15-13-24(14-16-25)29-32-27(22-7-3-1-4-8-22)28(23-9-5-2-6-10-23)33(29)20-19-21-11-17-26(18-12-21)36(31,34)35/h1-18H,19-20H2,(H2,31,34,35)
InChIKeyKATOBSBWUBZZAR-UHFFFAOYSA-N
XLogP6.43
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.05
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-chlorophenyl)-5-methyl-1-(2-phenylethyl)pyrazol-3-yl]benzenesulfonamide
CID 19355267
2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole
CID 5095173
4-(4-chlorophenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)pyrazole-5-carboxylate
CID 18914556
4-(1-benzyl-4,5-dimethylimidazol-2-yl)benzenesulfonamide
CID 25025229
2,5-bis(4-chlorophenyl)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]imidazole
CID 3732902
4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701480
1-benzyl-3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
CID 43016615
1-benzyl-2-(4-iodophenyl)-4,5-diphenylimidazole
CID 139218774
4-[2-[(3Z)-3-benzylidene-5-(4-chlorophenyl)-2-oxopyrrol-1-yl]ethyl]benzenesulfonamide
CID 164946349
4-(2-phenylimidazo[1,2-a]pyrazin-3-yl)benzenesulfonamide
CID 70025147
7-(2,4,5-triphenylimidazol-1-yl)heptanoic acid
CID 22916430
6-[2-[4,5-bis(4-methoxyphenyl)-2-methylimidazol-1-yl]ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2-methyl-4,5-diphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4,5-triphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 91591174

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-1-yl]ethyl]benzenesulfonamide (CID 171716810) is 4-[2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-1-yl]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCn2c(-c3ccc(Cl)cc3)nc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 4-[2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is KATOBSBWUBZZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClN3O2S/c30-25-15-13-24(14-16-25)29-32-27(22-7-3-1-4-8-22)28(23-9-5-2-6-10-23)33(29)20-19-21-11-17-26(18-12-21)36(31,34)35/h1-18H,19-20H2,(H2,31,34,35).
What are the key properties of 4-[2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-1-yl]ethyl]benzenesulfonamide?
4-[2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 514.05 g/mol, XLogP of 6.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 171716810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).