2-(2,2,2-trifluoroethoxy)benzenesulfonamide

C8H8F3NO3S — CID 13322073

IUPAC2-(2,2,2-trifluoroethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1OCC(F)(F)F
InChIInChI=1S/C8H8F3NO3S/c9-8(10,11)5-15-6-3-1-2-4-7(6)16(12,13)14/h1-4H,5H2,(H2,12,13,14)
InChIKeyAITWNTFDPACKDO-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.28
Rot. Bonds3

About 2-(2,2,2-trifluoroethoxy)benzenesulfonamide

2-(2,2,2-trifluoroethoxy)benzenesulfonamide (PubChem CID 13322073) has the molecular formula C8H8F3NO3S and a molecular weight of 255.22 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)benzenesulfonamide
PubChem CID13322073
Molecular FormulaC8H8F3NO3S
Molecular Weight255.22 g/mol
Exact Mass255.02
IUPAC Name2-(2,2,2-trifluoroethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1OCC(F)(F)F
InChIInChI=1S/C8H8F3NO3S/c9-8(10,11)5-15-6-3-1-2-4-7(6)16(12,13)14/h1-4H,5H2,(H2,12,13,14)
InChIKeyAITWNTFDPACKDO-UHFFFAOYSA-N
XLogP1.28
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)benzenesulfonamide?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)benzenesulfonamide (CID 13322073) is 2-(2,2,2-trifluoroethoxy)benzenesulfonamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)benzenesulfonamide?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)benzenesulfonamide is NS(=O)(=O)c1ccccc1OCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)benzenesulfonamide?
The InChIKey is AITWNTFDPACKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO3S/c9-8(10,11)5-15-6-3-1-2-4-7(6)16(12,13)14/h1-4H,5H2,(H2,12,13,14).
What are the key properties of 2-(2,2,2-trifluoroethoxy)benzenesulfonamide?
2-(2,2,2-trifluoroethoxy)benzenesulfonamide has a molecular weight of 255.22 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)benzenesulfonamide is sourced from PubChem (CID 13322073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).