N-ethyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide

C9H10F3NO3S — CID 138985373

IUPACN-ethyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C9H10F3NO3S/c1-2-13-17(15,16)8-4-3-6(14)5-7(8)9(10,11)12/h3-5,13-14H,2H2,1H3
InChIKeyFLHZTJIMKUETHT-UHFFFAOYSA-N
MW269.24 g/mol
LogP1.71
Rot. Bonds3

About N-ethyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide

N-ethyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 138985373) has the molecular formula C9H10F3NO3S and a molecular weight of 269.24 g/mol. Its IUPAC name is N-ethyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide
PubChem CID138985373
Molecular FormulaC9H10F3NO3S
Molecular Weight269.24 g/mol
Exact Mass269.03
IUPAC NameN-ethyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C9H10F3NO3S/c1-2-13-17(15,16)8-4-3-6(14)5-7(8)9(10,11)12/h3-5,13-14H,2H2,1H3
InChIKeyFLHZTJIMKUETHT-UHFFFAOYSA-N
XLogP1.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide (CID 138985373) is N-ethyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide is CCNS(=O)(=O)c1ccc(O)cc1C(F)(F)F.
What is the InChIKey of N-ethyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FLHZTJIMKUETHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3S/c1-2-13-17(15,16)8-4-3-6(14)5-7(8)9(10,11)12/h3-5,13-14H,2H2,1H3.
What are the key properties of N-ethyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide?
N-ethyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 269.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 138985373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).