5-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide

C22H16F3N3O2S2 — CID 24759871

IUPAC5-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3ccc(S(N)(=O)=O)s3)n2)n1
InChIInChI=1S/C22H16F3N3O2S2/c1-13-11-15(14-5-7-16(8-6-14)22(23,24)25)12-19(27-13)17-3-2-4-18(28-17)20-9-10-21(31-20)32(26,29)30/h2-12H,1H3,(H2,26,29,30)
InChIKeyIIFXKCIOGPIARO-UHFFFAOYSA-N
MW475.52 g/mol
LogP5.51
Rot. Bonds4

About 5-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide

5-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide (PubChem CID 24759871) has the molecular formula C22H16F3N3O2S2 and a molecular weight of 475.52 g/mol. Its IUPAC name is 5-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide
PubChem CID24759871
Molecular FormulaC22H16F3N3O2S2
Molecular Weight475.52 g/mol
Exact Mass475.06
IUPAC Name5-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3ccc(S(N)(=O)=O)s3)n2)n1
InChIInChI=1S/C22H16F3N3O2S2/c1-13-11-15(14-5-7-16(8-6-14)22(23,24)25)12-19(27-13)17-3-2-4-18(28-17)20-9-10-21(31-20)32(26,29)30/h2-12H,1H3,(H2,26,29,30)
InChIKeyIIFXKCIOGPIARO-UHFFFAOYSA-N
XLogP5.51
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.52
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 44447085
CID 44447085
CID 24760738
CID 24760738
CID 2809484
CID 2809484
CID 56588634
CID 56588634
CID 18183359
CID 18183359
CID 22746010
CID 22746010
CID 24759870
CID 24759870
CID 24759872
CID 24759872
CID 24760085
CID 24760085
CID 24760147
CID 24760147
CID 24760150
CID 24760150
CID 24760291
CID 24760291

Frequently Asked Questions

What is the IUPAC name of 5-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide (CID 24759871) is 5-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide is Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3ccc(S(N)(=O)=O)s3)n2)n1.
What is the InChIKey of 5-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is IIFXKCIOGPIARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O2S2/c1-13-11-15(14-5-7-16(8-6-14)22(23,24)25)12-19(27-13)17-3-2-4-18(28-17)20-9-10-21(31-20)32(26,29)30/h2-12H,1H3,(H2,26,29,30).
What are the key properties of 5-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide?
5-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 475.52 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 24759871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).