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

C23H17F3N4O2S — CID 67393923

IUPAC3-[6-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide
SMILESCc1cc(-c2ccc(C(F)(F)F)nc2)cc(-c2cccc(-c3cccc(S(N)(=O)=O)c3)n2)n1
InChIInChI=1S/C23H17F3N4O2S/c1-14-10-17(16-8-9-22(28-13-16)23(24,25)26)12-21(29-14)20-7-3-6-19(30-20)15-4-2-5-18(11-15)33(27,31)32/h2-13H,1H3,(H2,27,31,32)
InChIKeySNOQZNIOGMOXDJ-UHFFFAOYSA-N
MW470.48 g/mol
LogP4.85
Rot. Bonds4

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

3-[6-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide (PubChem CID 67393923) has the molecular formula C23H17F3N4O2S and a molecular weight of 470.48 g/mol. Its IUPAC name is 3-[6-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[6-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide
PubChem CID67393923
Molecular FormulaC23H17F3N4O2S
Molecular Weight470.48 g/mol
Exact Mass470.10
IUPAC Name3-[6-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide
SMILESCc1cc(-c2ccc(C(F)(F)F)nc2)cc(-c2cccc(-c3cccc(S(N)(=O)=O)c3)n2)n1
InChIInChI=1S/C23H17F3N4O2S/c1-14-10-17(16-8-9-22(28-13-16)23(24,25)26)12-21(29-14)20-7-3-6-19(30-20)15-4-2-5-18(11-15)33(27,31)32/h2-13H,1H3,(H2,27,31,32)
InChIKeySNOQZNIOGMOXDJ-UHFFFAOYSA-N
XLogP4.85
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-[6-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide (CID 67393923) is 3-[6-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-[6-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-[6-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide is Cc1cc(-c2ccc(C(F)(F)F)nc2)cc(-c2cccc(-c3cccc(S(N)(=O)=O)c3)n2)n1.
What is the InChIKey of 3-[6-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide?
The InChIKey is SNOQZNIOGMOXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2S/c1-14-10-17(16-8-9-22(28-13-16)23(24,25)26)12-21(29-14)20-7-3-6-19(30-20)15-4-2-5-18(11-15)33(27,31)32/h2-13H,1H3,(H2,27,31,32).
What are the key properties of 3-[6-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide?
3-[6-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide has a molecular weight of 470.48 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 67393923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).