2-(4-propan-2-ylsulfonylphenyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine

C19H16F3N3O2S — CID 174872147

IUPAC2-(4-propan-2-ylsulfonylphenyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cncc(-c3ccc(C(F)(F)F)nc3)n2)cc1
InChIInChI=1S/C19H16F3N3O2S/c1-12(2)28(26,27)15-6-3-13(4-7-15)16-10-23-11-17(25-16)14-5-8-18(24-9-14)19(20,21)22/h3-12H,1-2H3
InChIKeyVCAHBISGIBIWOC-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.41
Rot. Bonds4

About 2-(4-propan-2-ylsulfonylphenyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine

2-(4-propan-2-ylsulfonylphenyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine (PubChem CID 174872147) has the molecular formula C19H16F3N3O2S and a molecular weight of 407.42 g/mol. Its IUPAC name is 2-(4-propan-2-ylsulfonylphenyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine.

Molecular Properties

Compound Name2-(4-propan-2-ylsulfonylphenyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine
PubChem CID174872147
Molecular FormulaC19H16F3N3O2S
Molecular Weight407.42 g/mol
Exact Mass407.09
IUPAC Name2-(4-propan-2-ylsulfonylphenyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cncc(-c3ccc(C(F)(F)F)nc3)n2)cc1
InChIInChI=1S/C19H16F3N3O2S/c1-12(2)28(26,27)15-6-3-13(4-7-15)16-10-23-11-17(25-16)14-5-8-18(24-9-14)19(20,21)22/h3-12H,1-2H3
InChIKeyVCAHBISGIBIWOC-UHFFFAOYSA-N
XLogP4.41
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylsulfonylphenyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine?
The IUPAC name of 2-(4-propan-2-ylsulfonylphenyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine (CID 174872147) is 2-(4-propan-2-ylsulfonylphenyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine.
What is the SMILES notation for 2-(4-propan-2-ylsulfonylphenyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine?
The canonical SMILES for 2-(4-propan-2-ylsulfonylphenyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine is CC(C)S(=O)(=O)c1ccc(-c2cncc(-c3ccc(C(F)(F)F)nc3)n2)cc1.
What is the InChIKey of 2-(4-propan-2-ylsulfonylphenyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine?
The InChIKey is VCAHBISGIBIWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2S/c1-12(2)28(26,27)15-6-3-13(4-7-15)16-10-23-11-17(25-16)14-5-8-18(24-9-14)19(20,21)22/h3-12H,1-2H3.
What are the key properties of 2-(4-propan-2-ylsulfonylphenyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine?
2-(4-propan-2-ylsulfonylphenyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine has a molecular weight of 407.42 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylsulfonylphenyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine is sourced from PubChem (CID 174872147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).