4-(trifluoromethoxy)benzenesulfonamide

C7H6F3NO3S — CID 2777211

IUPAC4-(trifluoromethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C7H6F3NO3S/c8-7(9,10)14-5-1-3-6(4-2-5)15(11,12)13/h1-4H,(H2,11,12,13)
InChIKeyRGOJCHYYBKMRLL-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.23
Rot. Bonds2

About 4-(trifluoromethoxy)benzenesulfonamide

4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 2777211) has the molecular formula C7H6F3NO3S and a molecular weight of 241.19 g/mol. Its IUPAC name is 4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-(trifluoromethoxy)benzenesulfonamide
PubChem CID2777211
Molecular FormulaC7H6F3NO3S
Molecular Weight241.19 g/mol
Exact Mass241.00
IUPAC Name4-(trifluoromethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C7H6F3NO3S/c8-7(9,10)14-5-1-3-6(4-2-5)15(11,12)13/h1-4H,(H2,11,12,13)
InChIKeyRGOJCHYYBKMRLL-UHFFFAOYSA-N
XLogP1.23
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 4-(trifluoromethoxy)benzenesulfonamide (CID 2777211) is 4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 4-(trifluoromethoxy)benzenesulfonamide is NS(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is RGOJCHYYBKMRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO3S/c8-7(9,10)14-5-1-3-6(4-2-5)15(11,12)13/h1-4H,(H2,11,12,13).
What are the key properties of 4-(trifluoromethoxy)benzenesulfonamide?
4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 241.19 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 2777211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).