3-[6-[6-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide

C25H20F3N3O2S — CID 24760291

IUPAC3-[6-[6-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide
SMILESCc1cc(-c2ccc(C(F)(F)F)c(C)c2)cc(-c2cccc(-c3cccc(S(N)(=O)=O)c3)n2)n1
InChIInChI=1S/C25H20F3N3O2S/c1-15-11-17(9-10-21(15)25(26,27)28)19-12-16(2)30-24(14-19)23-8-4-7-22(31-23)18-5-3-6-20(13-18)34(29,32)33/h3-14H,1-2H3,(H2,29,32,33)
InChIKeyRKLSKBGHIWFBPZ-UHFFFAOYSA-N
MW483.52 g/mol
LogP5.76
Rot. Bonds4

About 3-[6-[6-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide

3-[6-[6-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide (PubChem CID 24760291) has the molecular formula C25H20F3N3O2S and a molecular weight of 483.52 g/mol. Its IUPAC name is 3-[6-[6-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[6-[6-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide
PubChem CID24760291
Molecular FormulaC25H20F3N3O2S
Molecular Weight483.52 g/mol
Exact Mass483.12
IUPAC Name3-[6-[6-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide
SMILESCc1cc(-c2ccc(C(F)(F)F)c(C)c2)cc(-c2cccc(-c3cccc(S(N)(=O)=O)c3)n2)n1
InChIInChI=1S/C25H20F3N3O2S/c1-15-11-17(9-10-21(15)25(26,27)28)19-12-16(2)30-24(14-19)23-8-4-7-22(31-23)18-5-3-6-20(13-18)34(29,32)33/h3-14H,1-2H3,(H2,29,32,33)
InChIKeyRKLSKBGHIWFBPZ-UHFFFAOYSA-N
XLogP5.76
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.52
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[6-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-[6-[6-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide (CID 24760291) is 3-[6-[6-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-[6-[6-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-[6-[6-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide is Cc1cc(-c2ccc(C(F)(F)F)c(C)c2)cc(-c2cccc(-c3cccc(S(N)(=O)=O)c3)n2)n1.
What is the InChIKey of 3-[6-[6-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide?
The InChIKey is RKLSKBGHIWFBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O2S/c1-15-11-17(9-10-21(15)25(26,27)28)19-12-16(2)30-24(14-19)23-8-4-7-22(31-23)18-5-3-6-20(13-18)34(29,32)33/h3-14H,1-2H3,(H2,29,32,33).
What are the key properties of 3-[6-[6-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide?
3-[6-[6-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide has a molecular weight of 483.52 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[6-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 24760291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).