1,1,1-trifluoro-N-[(6-methyl-2-pyridinyl)methyl]methanesulfonamide

C8H9F3N2O2S — CID 86218781

IUPAC1,1,1-trifluoro-N-[(6-methyl-2-pyridinyl)methyl]methanesulfonamide
SMILESCc1cccc(CNS(=O)(=O)C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O2S/c1-6-3-2-4-7(13-6)5-12-16(14,15)8(9,10)11/h2-4,12H,5H2,1H3
InChIKeyWXIXYTYSJSBNMS-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.33
Rot. Bonds3

About 1,1,1-trifluoro-N-[(6-methyl-2-pyridinyl)methyl]methanesulfonamide

1,1,1-trifluoro-N-[(6-methyl-2-pyridinyl)methyl]methanesulfonamide (PubChem CID 86218781) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(6-methyl-2-pyridinyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(6-methyl-2-pyridinyl)methyl]methanesulfonamide
PubChem CID86218781
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name1,1,1-trifluoro-N-[(6-methyl-2-pyridinyl)methyl]methanesulfonamide
SMILESCc1cccc(CNS(=O)(=O)C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O2S/c1-6-3-2-4-7(13-6)5-12-16(14,15)8(9,10)11/h2-4,12H,5H2,1H3
InChIKeyWXIXYTYSJSBNMS-UHFFFAOYSA-N
XLogP1.33
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[(6-methyl-2-pyridinyl)methyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[(6-methyl-2-pyridinyl)methyl]methanesulfonamide (CID 86218781) is 1,1,1-trifluoro-N-[(6-methyl-2-pyridinyl)methyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[(6-methyl-2-pyridinyl)methyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[(6-methyl-2-pyridinyl)methyl]methanesulfonamide is Cc1cccc(CNS(=O)(=O)C(F)(F)F)n1.
What is the InChIKey of 1,1,1-trifluoro-N-[(6-methyl-2-pyridinyl)methyl]methanesulfonamide?
The InChIKey is WXIXYTYSJSBNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c1-6-3-2-4-7(13-6)5-12-16(14,15)8(9,10)11/h2-4,12H,5H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-[(6-methyl-2-pyridinyl)methyl]methanesulfonamide?
1,1,1-trifluoro-N-[(6-methyl-2-pyridinyl)methyl]methanesulfonamide has a molecular weight of 254.23 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[(6-methyl-2-pyridinyl)methyl]methanesulfonamide is sourced from PubChem (CID 86218781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).