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

C22H16F3N3O2S2 — CID 24759870

IUPAC5-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccnc(-c3ccc(S(N)(=O)=O)s3)c2)n1
InChIInChI=1S/C22H16F3N3O2S2/c1-13-10-16(14-2-4-17(5-3-14)22(23,24)25)12-18(28-13)15-8-9-27-19(11-15)20-6-7-21(31-20)32(26,29)30/h2-12H,1H3,(H2,26,29,30)
InChIKeyUXRWVUJCSAYWJV-UHFFFAOYSA-N
MW475.52 g/mol
LogP5.51
Rot. Bonds4

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

5-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide (PubChem CID 24759870) has the molecular formula C22H16F3N3O2S2 and a molecular weight of 475.52 g/mol. Its IUPAC name is 5-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide
PubChem CID24759870
Molecular FormulaC22H16F3N3O2S2
Molecular Weight475.52 g/mol
Exact Mass475.06
IUPAC Name5-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccnc(-c3ccc(S(N)(=O)=O)s3)c2)n1
InChIInChI=1S/C22H16F3N3O2S2/c1-13-10-16(14-2-4-17(5-3-14)22(23,24)25)12-18(28-13)15-8-9-27-19(11-15)20-6-7-21(31-20)32(26,29)30/h2-12H,1H3,(H2,26,29,30)
InChIKeyUXRWVUJCSAYWJV-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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Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide (CID 24759870) is 5-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide is Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccnc(-c3ccc(S(N)(=O)=O)s3)c2)n1.
What is the InChIKey of 5-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is UXRWVUJCSAYWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O2S2/c1-13-10-16(14-2-4-17(5-3-14)22(23,24)25)12-18(28-13)15-8-9-27-19(11-15)20-6-7-21(31-20)32(26,29)30/h2-12H,1H3,(H2,26,29,30).
What are the key properties of 5-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide?
5-[4-[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-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 24759870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).