5-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]thiophene-2-sulfonamide

C20H12F6N4O2S2 — CID 57469025

About 5-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]thiophene-2-sulfonamide

5-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]thiophene-2-sulfonamide (PubChem CID 57469025) has the molecular formula C20H12F6N4O2S2 and a molecular weight of 518.46 g/mol. Its IUPAC name is 5-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: 5-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]thiophene-2-sulfonamide
• PubChem CID: 57469025
• Molecular Formula: C20H12F6N4O2S2
• Molecular Weight: 518.46 g/mol
• Exact Mass: 518.03
• IUPAC Name: 5-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]thiophene-2-sulfonamide
• SMILES: NS(=O)(=O)c1ccc(-c2cn(-c3cc(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)n3)cn2)s1
• InChI: InChI=1S/C20H12F6N4O2S2/c21-19(22,23)12-3-1-11(2-4-12)14-7-13(20(24,25)26)8-17(29-14)30-9-15(28-10-30)16-5-6-18(33-16)34(27,31)32/h1-10H,(H2,27,31,32)
• InChIKey: IFOWEBXBYSIREL-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 90.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.46
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]thiophene-2-sulfonamide?

The IUPAC name of 5-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]thiophene-2-sulfonamide (CID 57469025) is 5-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]thiophene-2-sulfonamide.

What is the SMILES notation for 5-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]thiophene-2-sulfonamide?

The canonical SMILES for 5-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(-c2cn(-c3cc(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)n3)cn2)s1.

What is the InChIKey of 5-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]thiophene-2-sulfonamide?

The InChIKey is IFOWEBXBYSIREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F6N4O2S2/c21-19(22,23)12-3-1-11(2-4-12)14-7-13(20(24,25)26)8-17(29-14)30-9-15(28-10-30)16-5-6-18(33-16)34(27,31)32/h1-10H,(H2,27,31,32).

What are the key properties of 5-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]thiophene-2-sulfonamide?

5-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]thiophene-2-sulfonamide has a molecular weight of 518.46 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 57469025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).