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

C20H12F6N4O2S2 — CID 57469025

IUPAC5-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cn(-c3cc(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)n3)cn2)s1
InChIInChI=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)
InChIKeyIFOWEBXBYSIREL-UHFFFAOYSA-N
MW518.46 g/mol
LogP5.35
Rot. Bonds4

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 Name5-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]thiophene-2-sulfonamide
PubChem CID57469025
Molecular FormulaC20H12F6N4O2S2
Molecular Weight518.46 g/mol
Exact Mass518.03
IUPAC Name5-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cn(-c3cc(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)n3)cn2)s1
InChIInChI=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)
InChIKeyIFOWEBXBYSIREL-UHFFFAOYSA-N
XLogP5.35
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.46
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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).