2-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide

C12H14F3NO3S — CID 69222101

IUPAC2-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C(F)(F)F)c1CC1CCCO1
InChIInChI=1S/C12H14F3NO3S/c13-12(14,15)10-4-1-5-11(20(16,17)18)9(10)7-8-3-2-6-19-8/h1,4-5,8H,2-3,6-7H2,(H2,16,17,18)
InChIKeyFOZUMIVHYNYABG-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.07
Rot. Bonds3

About 2-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide

2-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 69222101) has the molecular formula C12H14F3NO3S and a molecular weight of 309.31 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID69222101
Molecular FormulaC12H14F3NO3S
Molecular Weight309.31 g/mol
Exact Mass309.06
IUPAC Name2-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C(F)(F)F)c1CC1CCCO1
InChIInChI=1S/C12H14F3NO3S/c13-12(14,15)10-4-1-5-11(20(16,17)18)9(10)7-8-3-2-6-19-8/h1,4-5,8H,2-3,6-7H2,(H2,16,17,18)
InChIKeyFOZUMIVHYNYABG-UHFFFAOYSA-N
XLogP2.07
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 69222101) is 2-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1cccc(C(F)(F)F)c1CC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FOZUMIVHYNYABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3S/c13-12(14,15)10-4-1-5-11(20(16,17)18)9(10)7-8-3-2-6-19-8/h1,4-5,8H,2-3,6-7H2,(H2,16,17,18).
What are the key properties of 2-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
2-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 309.31 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 69222101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).