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

C26H27Cl2N5O3S2 — CID 24825367

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

4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide (PubChem CID 24825367) has the molecular formula C26H27Cl2N5O3S2 and a molecular weight of 592.57 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide.

Molecular Properties

• Compound Name: 4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide
• PubChem CID: 24825367
• Molecular Formula: C26H27Cl2N5O3S2
• Molecular Weight: 592.57 g/mol
• Exact Mass: 591.09
• IUPAC Name: 4-(3,4-dichlorophenyl)-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(c3ccc(Cl)c(Cl)c3)CC2)cc1
• InChI: InChI=1S/C26H27Cl2N5O3S2/c1-36-20-7-4-18(5-8-20)25-23(30-26(31-25)24-3-2-16-37-24)10-11-29-38(34,35)33-14-12-32(13-15-33)19-6-9-21(27)22(28)17-19/h2-9,16-17,29H,10-15H2,1H3,(H,30,31)
• InChIKey: XYWVTJKIQVAFBJ-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 90.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.57
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide (CID 24825367) is 4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide.

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

The canonical SMILES for 4-(3,4-dichlorophenyl)-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(c3ccc(Cl)c(Cl)c3)CC2)cc1.

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

The InChIKey is XYWVTJKIQVAFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl2N5O3S2/c1-36-20-7-4-18(5-8-20)25-23(30-26(31-25)24-3-2-16-37-24)10-11-29-38(34,35)33-14-12-32(13-15-33)19-6-9-21(27)22(28)17-19/h2-9,16-17,29H,10-15H2,1H3,(H,30,31).

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

4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide has a molecular weight of 592.57 g/mol, XLogP of 5.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 24825367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).