1,1,1-trifluoro-N-(pyridin-2-ylmethyl)methanesulfonamide

C7H7F3N2O2S — CID 20807188

IUPAC1,1,1-trifluoro-N-(pyridin-2-ylmethyl)methanesulfonamide
SMILESO=S(=O)(NCc1ccccn1)C(F)(F)F
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)15(13,14)12-5-6-3-1-2-4-11-6/h1-4,12H,5H2
InChIKeyCRMSLTOLCMDJQG-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.02
Rot. Bonds3

About 1,1,1-trifluoro-N-(pyridin-2-ylmethyl)methanesulfonamide

1,1,1-trifluoro-N-(pyridin-2-ylmethyl)methanesulfonamide (PubChem CID 20807188) has the molecular formula C7H7F3N2O2S and a molecular weight of 240.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(pyridin-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(pyridin-2-ylmethyl)methanesulfonamide
PubChem CID20807188
Molecular FormulaC7H7F3N2O2S
Molecular Weight240.21 g/mol
Exact Mass240.02
IUPAC Name1,1,1-trifluoro-N-(pyridin-2-ylmethyl)methanesulfonamide
SMILESO=S(=O)(NCc1ccccn1)C(F)(F)F
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)15(13,14)12-5-6-3-1-2-4-11-6/h1-4,12H,5H2
InChIKeyCRMSLTOLCMDJQG-UHFFFAOYSA-N
XLogP1.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Pyridinemethanamine
CID 19509
Pyridine-2-carbothioamide
CID 1549499
Betahistine monomesilate
CID 6420033
1-Butylpyridinium triflate
CID 2734248
N-methyl-1-(pyridin-2-yl)methanamine
CID 88757
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
4-(Aminomethyl)-2-(trifluoromethyl)pyridine
CID 55265285
2-(Difluoromethyl)pyridine
CID 639501
(2-Aminoethyl)(pyridin-2-ylmethyl)amine
CID 12677274
Pyridinium, 1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-, trifluoromethanesulfonate
CID 212833
(1S)-1-(pyridin-2-yl)ethan-1-amine
CID 1084917
1-Ethylpyridinium trifluoromethanesulfonate
CID 13638937

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(pyridin-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(pyridin-2-ylmethyl)methanesulfonamide (CID 20807188) is 1,1,1-trifluoro-N-(pyridin-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(pyridin-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(pyridin-2-ylmethyl)methanesulfonamide is O=S(=O)(NCc1ccccn1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(pyridin-2-ylmethyl)methanesulfonamide?
The InChIKey is CRMSLTOLCMDJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2S/c8-7(9,10)15(13,14)12-5-6-3-1-2-4-11-6/h1-4,12H,5H2.
What are the key properties of 1,1,1-trifluoro-N-(pyridin-2-ylmethyl)methanesulfonamide?
1,1,1-trifluoro-N-(pyridin-2-ylmethyl)methanesulfonamide has a molecular weight of 240.21 g/mol, XLogP of 1.02, 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-(pyridin-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 20807188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).