1,1,1-trifluoro-N-pyridin-4-ylmethanesulfonamide

C6H5F3N2O2S — CID 18999207

IUPAC1,1,1-trifluoro-N-pyridin-4-ylmethanesulfonamide
SMILESO=S(=O)(Nc1ccncc1)C(F)(F)F
InChIInChI=1S/C6H5F3N2O2S/c7-6(8,9)14(12,13)11-5-1-3-10-4-2-5/h1-4H,(H,10,11)
InChIKeyIJWKSOSLKQGACZ-UHFFFAOYSA-N
MW226.18 g/mol
LogP1.34
Rot. Bonds2

About 1,1,1-trifluoro-N-pyridin-4-ylmethanesulfonamide

1,1,1-trifluoro-N-pyridin-4-ylmethanesulfonamide (PubChem CID 18999207) has the molecular formula C6H5F3N2O2S and a molecular weight of 226.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-pyridin-4-ylmethanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-pyridin-4-ylmethanesulfonamide
PubChem CID18999207
Molecular FormulaC6H5F3N2O2S
Molecular Weight226.18 g/mol
Exact Mass226.00
IUPAC Name1,1,1-trifluoro-N-pyridin-4-ylmethanesulfonamide
SMILESO=S(=O)(Nc1ccncc1)C(F)(F)F
InChIInChI=1S/C6H5F3N2O2S/c7-6(8,9)14(12,13)11-5-1-3-10-4-2-5/h1-4H,(H,10,11)
InChIKeyIJWKSOSLKQGACZ-UHFFFAOYSA-N
XLogP1.34
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 51.34
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-pyridin-4-ylmethanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-pyridin-4-ylmethanesulfonamide (CID 18999207) is 1,1,1-trifluoro-N-pyridin-4-ylmethanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-pyridin-4-ylmethanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-pyridin-4-ylmethanesulfonamide is O=S(=O)(Nc1ccncc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-pyridin-4-ylmethanesulfonamide?
The InChIKey is IJWKSOSLKQGACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2S/c7-6(8,9)14(12,13)11-5-1-3-10-4-2-5/h1-4H,(H,10,11).
What are the key properties of 1,1,1-trifluoro-N-pyridin-4-ylmethanesulfonamide?
1,1,1-trifluoro-N-pyridin-4-ylmethanesulfonamide has a molecular weight of 226.18 g/mol, XLogP of 1.34, 2 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-pyridin-4-ylmethanesulfonamide is sourced from PubChem (CID 18999207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).