[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide

C7H7F3N2O2S — CID 122456154

IUPAC[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)6-2-1-5(3-12-6)4-15(11,13)14/h1-3H,4H2,(H2,11,13,14)
InChIKeyNFBVJUSFTBKKCR-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.89
Rot. Bonds2

About [6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide

[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide (PubChem CID 122456154) has the molecular formula C7H7F3N2O2S and a molecular weight of 240.21 g/mol. Its IUPAC name is [6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound Name[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide
PubChem CID122456154
Molecular FormulaC7H7F3N2O2S
Molecular Weight240.21 g/mol
Exact Mass240.02
IUPAC Name[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)6-2-1-5(3-12-6)4-15(11,13)14/h1-3H,4H2,(H2,11,13,14)
InChIKeyNFBVJUSFTBKKCR-UHFFFAOYSA-N
XLogP0.89
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide?
The IUPAC name of [6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide (CID 122456154) is [6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for [6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide?
The canonical SMILES for [6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide is NS(=O)(=O)Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of [6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide?
The InChIKey is NFBVJUSFTBKKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2S/c8-7(9,10)6-2-1-5(3-12-6)4-15(11,13)14/h1-3H,4H2,(H2,11,13,14).
What are the key properties of [6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide?
[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide has a molecular weight of 240.21 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 122456154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).