2-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]benzenesulfonamide

C11H12F3NO3S — CID 153410013

IUPAC2-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1C1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H12F3NO3S/c12-11(13,14)10(16)5-7(6-10)8-3-1-2-4-9(8)19(15,17)18/h1-4,7,16H,5-6H2,(H2,15,17,18)
InChIKeyQTPXCDYCEKLZNR-UHFFFAOYSA-N
MW295.28 g/mol
LogP1.50
Rot. Bonds2

About 2-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]benzenesulfonamide

2-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]benzenesulfonamide (PubChem CID 153410013) has the molecular formula C11H12F3NO3S and a molecular weight of 295.28 g/mol. Its IUPAC name is 2-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]benzenesulfonamide
PubChem CID153410013
Molecular FormulaC11H12F3NO3S
Molecular Weight295.28 g/mol
Exact Mass295.05
IUPAC Name2-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1C1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H12F3NO3S/c12-11(13,14)10(16)5-7(6-10)8-3-1-2-4-9(8)19(15,17)18/h1-4,7,16H,5-6H2,(H2,15,17,18)
InChIKeyQTPXCDYCEKLZNR-UHFFFAOYSA-N
XLogP1.50
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]benzenesulfonamide?
The IUPAC name of 2-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]benzenesulfonamide (CID 153410013) is 2-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]benzenesulfonamide.
What is the SMILES notation for 2-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]benzenesulfonamide?
The canonical SMILES for 2-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]benzenesulfonamide is NS(=O)(=O)c1ccccc1C1CC(O)(C(F)(F)F)C1.
What is the InChIKey of 2-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]benzenesulfonamide?
The InChIKey is QTPXCDYCEKLZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3S/c12-11(13,14)10(16)5-7(6-10)8-3-1-2-4-9(8)19(15,17)18/h1-4,7,16H,5-6H2,(H2,15,17,18).
What are the key properties of 2-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]benzenesulfonamide?
2-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]benzenesulfonamide has a molecular weight of 295.28 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]benzenesulfonamide is sourced from PubChem (CID 153410013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).