4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide

C26H28ClN5O3S2 — CID 24825366

About 4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide

4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide (PubChem CID 24825366) has the molecular formula C26H28ClN5O3S2 and a molecular weight of 558.13 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide.

Molecular Properties

• Compound Name: 4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide
• PubChem CID: 24825366
• Molecular Formula: C26H28ClN5O3S2
• Molecular Weight: 558.13 g/mol
• Exact Mass: 557.13
• IUPAC Name: 4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide
• SMILES: COc1ccc(-c2nc(-c3cccs3)[nH]c2CCNS(=O)(=O)N2CCN(c3ccccc3Cl)CC2)cc1
• InChI: InChI=1S/C26H28ClN5O3S2/c1-35-20-10-8-19(9-11-20)25-22(29-26(30-25)24-7-4-18-36-24)12-13-28-37(33,34)32-16-14-31(15-17-32)23-6-3-2-5-21(23)27/h2-11,18,28H,12-17H2,1H3,(H,29,30)
• InChIKey: VDHKOWSRLQHFMY-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 90.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.13
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide (CID 24825366) is 4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide.

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

The canonical SMILES for 4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide is COc1ccc(-c2nc(-c3cccs3)[nH]c2CCNS(=O)(=O)N2CCN(c3ccccc3Cl)CC2)cc1.

What is the InChIKey of 4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide?

The InChIKey is VDHKOWSRLQHFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O3S2/c1-35-20-10-8-19(9-11-20)25-22(29-26(30-25)24-7-4-18-36-24)12-13-28-37(33,34)32-16-14-31(15-17-32)23-6-3-2-5-21(23)27/h2-11,18,28H,12-17H2,1H3,(H,29,30).

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

4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide has a molecular weight of 558.13 g/mol, XLogP of 4.67, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 24825366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).