2-[4-amino-2-(trifluoromethyl)phenyl]sulfonylethanol

C9H10F3NO3S — CID 68754129

IUPAC2-[4-amino-2-(trifluoromethyl)phenyl]sulfonylethanol
SMILESNc1ccc(S(=O)(=O)CCO)c(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO3S/c10-9(11,12)7-5-6(13)1-2-8(7)17(15,16)4-3-14/h1-2,5,14H,3-4,13H2
InChIKeyIRRXPCJNWAQFGT-UHFFFAOYSA-N
MW269.24 g/mol
LogP1.05
Rot. Bonds3

About 2-[4-amino-2-(trifluoromethyl)phenyl]sulfonylethanol

2-[4-amino-2-(trifluoromethyl)phenyl]sulfonylethanol (PubChem CID 68754129) has the molecular formula C9H10F3NO3S and a molecular weight of 269.24 g/mol. Its IUPAC name is 2-[4-amino-2-(trifluoromethyl)phenyl]sulfonylethanol.

Molecular Properties

Compound Name2-[4-amino-2-(trifluoromethyl)phenyl]sulfonylethanol
PubChem CID68754129
Molecular FormulaC9H10F3NO3S
Molecular Weight269.24 g/mol
Exact Mass269.03
IUPAC Name2-[4-amino-2-(trifluoromethyl)phenyl]sulfonylethanol
SMILESNc1ccc(S(=O)(=O)CCO)c(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO3S/c10-9(11,12)7-5-6(13)1-2-8(7)17(15,16)4-3-14/h1-2,5,14H,3-4,13H2
InChIKeyIRRXPCJNWAQFGT-UHFFFAOYSA-N
XLogP1.05
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[4-amino-2-(trifluoromethyl)phenyl]sulfonylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(trifluoromethyl)phenyl]sulfonylethanol?
The IUPAC name of 2-[4-amino-2-(trifluoromethyl)phenyl]sulfonylethanol (CID 68754129) is 2-[4-amino-2-(trifluoromethyl)phenyl]sulfonylethanol.
What is the SMILES notation for 2-[4-amino-2-(trifluoromethyl)phenyl]sulfonylethanol?
The canonical SMILES for 2-[4-amino-2-(trifluoromethyl)phenyl]sulfonylethanol is Nc1ccc(S(=O)(=O)CCO)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-amino-2-(trifluoromethyl)phenyl]sulfonylethanol?
The InChIKey is IRRXPCJNWAQFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3S/c10-9(11,12)7-5-6(13)1-2-8(7)17(15,16)4-3-14/h1-2,5,14H,3-4,13H2.
What are the key properties of 2-[4-amino-2-(trifluoromethyl)phenyl]sulfonylethanol?
2-[4-amino-2-(trifluoromethyl)phenyl]sulfonylethanol has a molecular weight of 269.24 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(trifluoromethyl)phenyl]sulfonylethanol is sourced from PubChem (CID 68754129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).