N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanesulfonamide

C12H14F3NO3S — CID 56765472

IUPACN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC(O)c1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C12H14F3NO3S/c13-12(14,15)9-3-1-8(2-4-9)11(17)7-16-20(18,19)10-5-6-10/h1-4,10-11,16-17H,5-7H2
InChIKeyLYBDKPUWSUWVFZ-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.82
Rot. Bonds5

About N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanesulfonamide

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanesulfonamide (PubChem CID 56765472) has the molecular formula C12H14F3NO3S and a molecular weight of 309.31 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanesulfonamide
PubChem CID56765472
Molecular FormulaC12H14F3NO3S
Molecular Weight309.31 g/mol
Exact Mass309.06
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC(O)c1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C12H14F3NO3S/c13-12(14,15)9-3-1-8(2-4-9)11(17)7-16-20(18,19)10-5-6-10/h1-4,10-11,16-17H,5-7H2
InChIKeyLYBDKPUWSUWVFZ-UHFFFAOYSA-N
XLogP1.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanesulfonamide 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 N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanesulfonamide (CID 56765472) is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanesulfonamide is O=S(=O)(NCC(O)c1ccc(C(F)(F)F)cc1)C1CC1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanesulfonamide?
The InChIKey is LYBDKPUWSUWVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3S/c13-12(14,15)9-3-1-8(2-4-9)11(17)7-16-20(18,19)10-5-6-10/h1-4,10-11,16-17H,5-7H2.
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanesulfonamide?
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanesulfonamide has a molecular weight of 309.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 56765472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).