N-[5-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide

C8H9F3N2O2S — CID 10610926

IUPACN-[5-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H9F3N2O2S/c1-2-16(14,15)13-7-4-3-6(5-12-7)8(9,10)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeyBJVOLYZUDVJXFE-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.86
Rot. Bonds3

About N-[5-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide

N-[5-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide (PubChem CID 10610926) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide
PubChem CID10610926
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC NameN-[5-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H9F3N2O2S/c1-2-16(14,15)13-7-4-3-6(5-12-7)8(9,10)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeyBJVOLYZUDVJXFE-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[5-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide (CID 10610926) is N-[5-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[5-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[5-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide?
The InChIKey is BJVOLYZUDVJXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c1-2-16(14,15)13-7-4-3-6(5-12-7)8(9,10)11/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of N-[5-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide?
N-[5-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide has a molecular weight of 254.23 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 10610926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).