2-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-amine

C12H9F3N2O2S — CID 901999

IUPAC2-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-amine
SMILESNc1cccnc1S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9F3N2O2S/c13-12(14,15)8-3-1-4-9(7-8)20(18,19)11-10(16)5-2-6-17-11/h1-7H,16H2
InChIKeyQFVYCDKSQCZUFK-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.52
Rot. Bonds2

About 2-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-amine

2-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-amine (PubChem CID 901999) has the molecular formula C12H9F3N2O2S and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-amine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-amine
PubChem CID901999
Molecular FormulaC12H9F3N2O2S
Molecular Weight302.28 g/mol
Exact Mass302.03
IUPAC Name2-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-amine
SMILESNc1cccnc1S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9F3N2O2S/c13-12(14,15)8-3-1-4-9(7-8)20(18,19)11-10(16)5-2-6-17-11/h1-7H,16H2
InChIKeyQFVYCDKSQCZUFK-UHFFFAOYSA-N
XLogP2.52
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-amine?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-amine (CID 901999) is 2-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-amine.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-amine?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-amine is Nc1cccnc1S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-amine?
The InChIKey is QFVYCDKSQCZUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2S/c13-12(14,15)8-3-1-4-9(7-8)20(18,19)11-10(16)5-2-6-17-11/h1-7H,16H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-amine?
2-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-amine has a molecular weight of 302.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-amine is sourced from PubChem (CID 901999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).