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

C24H19F3N4O2S — CID 151524358

IUPAC2-(6-methyl-2-pyridinyl)-6-[3-(sulfamoylamino)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine
SMILESCc1cccc(-c2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3cccc(NS(N)(=O)=O)c3)n2)n1
InChIInChI=1S/C24H19F3N4O2S/c1-15-4-2-7-21(29-15)23-14-18(16-8-10-19(11-9-16)24(25,26)27)13-22(30-23)17-5-3-6-20(12-17)31-34(28,32)33/h2-14,31H,1H3,(H2,28,32,33)
InChIKeyPVDFLBGELLENJE-UHFFFAOYSA-N
MW484.50 g/mol
LogP5.42
Rot. Bonds5

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

2-(6-methyl-2-pyridinyl)-6-[3-(sulfamoylamino)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 151524358) has the molecular formula C24H19F3N4O2S and a molecular weight of 484.50 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-6-[3-(sulfamoylamino)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-6-[3-(sulfamoylamino)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID151524358
Molecular FormulaC24H19F3N4O2S
Molecular Weight484.50 g/mol
Exact Mass484.12
IUPAC Name2-(6-methyl-2-pyridinyl)-6-[3-(sulfamoylamino)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine
SMILESCc1cccc(-c2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3cccc(NS(N)(=O)=O)c3)n2)n1
InChIInChI=1S/C24H19F3N4O2S/c1-15-4-2-7-21(29-15)23-14-18(16-8-10-19(11-9-16)24(25,26)27)13-22(30-23)17-5-3-6-20(12-17)31-34(28,32)33/h2-14,31H,1H3,(H2,28,32,33)
InChIKeyPVDFLBGELLENJE-UHFFFAOYSA-N
XLogP5.42
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.50
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-6-[3-(sulfamoylamino)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-6-[3-(sulfamoylamino)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine (CID 151524358) is 2-(6-methyl-2-pyridinyl)-6-[3-(sulfamoylamino)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-6-[3-(sulfamoylamino)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-6-[3-(sulfamoylamino)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine is Cc1cccc(-c2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3cccc(NS(N)(=O)=O)c3)n2)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-6-[3-(sulfamoylamino)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is PVDFLBGELLENJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O2S/c1-15-4-2-7-21(29-15)23-14-18(16-8-10-19(11-9-16)24(25,26)27)13-22(30-23)17-5-3-6-20(12-17)31-34(28,32)33/h2-14,31H,1H3,(H2,28,32,33).
What are the key properties of 2-(6-methyl-2-pyridinyl)-6-[3-(sulfamoylamino)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine?
2-(6-methyl-2-pyridinyl)-6-[3-(sulfamoylamino)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 484.50 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-6-[3-(sulfamoylamino)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 151524358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).