4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide

C28H29Cl2N5O3S — CID 24825368

About 4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide

4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide (PubChem CID 24825368) has the molecular formula C28H29Cl2N5O3S and a molecular weight of 586.55 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide.

Molecular Properties

• Compound Name: 4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide
• PubChem CID: 24825368
• Molecular Formula: C28H29Cl2N5O3S
• Molecular Weight: 586.55 g/mol
• Exact Mass: 585.14
• IUPAC Name: 4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide
• SMILES: COc1ccc(-c2nc(-c3ccccc3)[nH]c2CCNS(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1
• InChI: InChI=1S/C28H29Cl2N5O3S/c1-38-23-10-7-20(8-11-23)27-26(32-28(33-27)21-5-3-2-4-6-21)13-14-31-39(36,37)35-17-15-34(16-18-35)22-9-12-24(29)25(30)19-22/h2-12,19,31H,13-18H2,1H3,(H,32,33)
• InChIKey: KTJPQARCGMQAIV-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 90.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.55
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide?

The IUPAC name of 4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide (CID 24825368) is 4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide.

What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide?

The canonical SMILES for 4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide is COc1ccc(-c2nc(-c3ccccc3)[nH]c2CCNS(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1.

What is the InChIKey of 4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide?

The InChIKey is KTJPQARCGMQAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29Cl2N5O3S/c1-38-23-10-7-20(8-11-23)27-26(32-28(33-27)21-5-3-2-4-6-21)13-14-31-39(36,37)35-17-15-34(16-18-35)22-9-12-24(29)25(30)19-22/h2-12,19,31H,13-18H2,1H3,(H,32,33).

What are the key properties of 4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide?

4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide has a molecular weight of 586.55 g/mol, XLogP of 5.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 24825368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).