2-(trifluoromethyl)benzenesulfonamide

C7H6F3NO2S — CID 2778018

IUPAC2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C7H6F3NO2S/c8-7(9,10)5-3-1-2-4-6(5)14(11,12)13/h1-4H,(H2,11,12,13)
InChIKeyAFFPZJFLSDVZBV-UHFFFAOYSA-N
MW225.19 g/mol
LogP1.35
Rot. Bonds1

About 2-(trifluoromethyl)benzenesulfonamide

2-(trifluoromethyl)benzenesulfonamide (PubChem CID 2778018) has the molecular formula C7H6F3NO2S and a molecular weight of 225.19 g/mol. Its IUPAC name is 2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(trifluoromethyl)benzenesulfonamide
PubChem CID2778018
Molecular FormulaC7H6F3NO2S
Molecular Weight225.19 g/mol
Exact Mass225.01
IUPAC Name2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C7H6F3NO2S/c8-7(9,10)5-3-1-2-4-6(5)14(11,12)13/h1-4H,(H2,11,12,13)
InChIKeyAFFPZJFLSDVZBV-UHFFFAOYSA-N
XLogP1.35
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-(trifluoromethyl)benzenesulfonamide (CID 2778018) is 2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AFFPZJFLSDVZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S/c8-7(9,10)5-3-1-2-4-6(5)14(11,12)13/h1-4H,(H2,11,12,13).
What are the key properties of 2-(trifluoromethyl)benzenesulfonamide?
2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 225.19 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2778018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).