N-[2-[[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-chlorobenzenesulfonamide

C23H18Cl3N3O2S2 — CID 69444393

IUPACN-[2-[[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NCCSc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C23H18Cl3N3O2S2/c24-17-5-1-15(2-6-17)21-22(16-3-7-18(25)8-4-16)29-23(28-21)32-14-13-27-33(30,31)20-11-9-19(26)10-12-20/h1-12,27H,13-14H2,(H,28,29)
InChIKeyVPUNOEWZIBWUNQ-UHFFFAOYSA-N
MW538.91 g/mol
LogP6.77
Rot. Bonds8

About N-[2-[[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-chlorobenzenesulfonamide

N-[2-[[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-chlorobenzenesulfonamide (PubChem CID 69444393) has the molecular formula C23H18Cl3N3O2S2 and a molecular weight of 538.91 g/mol. Its IUPAC name is N-[2-[[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-chlorobenzenesulfonamide
PubChem CID69444393
Molecular FormulaC23H18Cl3N3O2S2
Molecular Weight538.91 g/mol
Exact Mass536.99
IUPAC NameN-[2-[[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NCCSc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C23H18Cl3N3O2S2/c24-17-5-1-15(2-6-17)21-22(16-3-7-18(25)8-4-16)29-23(28-21)32-14-13-27-33(30,31)20-11-9-19(26)10-12-20/h1-12,27H,13-14H2,(H,28,29)
InChIKeyVPUNOEWZIBWUNQ-UHFFFAOYSA-N
XLogP6.77
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.91
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
CID 69444262
4-[2-benzylsulfanyl-4-(4-chlorophenyl)-1H-imidazol-5-yl]benzenesulfonamide
CID 18463799
N-[4-(acetylsulfamoyl)phenyl]-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide
CID 25042312
N-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2,4-dichlorobenzamide
CID 69443523
3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)propanamide
CID 23832975
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 25039874
6-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-sulfonamide
CID 28533546
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 25049653
4-chloro-N-[2-(3,5-difluoro-4-hydroxyphenyl)sulfanylethyl]benzenesulfonamide
CID 10339700
4-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 107849052
3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 23775143
2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-nitrosopentyl]sulfanyl-4,5-diphenyl-1H-imidazole
CID 57034417

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[2-[[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-chlorobenzenesulfonamide (CID 69444393) is N-[2-[[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[2-[[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[2-[[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-chlorobenzenesulfonamide is O=S(=O)(NCCSc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-chlorobenzenesulfonamide?
The InChIKey is VPUNOEWZIBWUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl3N3O2S2/c24-17-5-1-15(2-6-17)21-22(16-3-7-18(25)8-4-16)29-23(28-21)32-14-13-27-33(30,31)20-11-9-19(26)10-12-20/h1-12,27H,13-14H2,(H,28,29).
What are the key properties of N-[2-[[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-chlorobenzenesulfonamide?
N-[2-[[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-chlorobenzenesulfonamide has a molecular weight of 538.91 g/mol, XLogP of 6.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 69444393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).