N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-1-sulfonamide

C13H18F3NO3S — CID 56765473

IUPACN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO3S/c1-9(2)8-21(19,20)17-7-12(18)10-3-5-11(6-4-10)13(14,15)16/h3-6,9,12,17-18H,7-8H2,1-2H3
InChIKeyIUIMUCXZCZTWIP-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.31
Rot. Bonds6

About N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-1-sulfonamide

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-1-sulfonamide (PubChem CID 56765473) has the molecular formula C13H18F3NO3S and a molecular weight of 325.35 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-1-sulfonamide
PubChem CID56765473
Molecular FormulaC13H18F3NO3S
Molecular Weight325.35 g/mol
Exact Mass325.10
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO3S/c1-9(2)8-21(19,20)17-7-12(18)10-3-5-11(6-4-10)13(14,15)16/h3-6,9,12,17-18H,7-8H2,1-2H3
InChIKeyIUIMUCXZCZTWIP-UHFFFAOYSA-N
XLogP2.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}methanesulfonamide
CID 56765478
N-(2-hydroxy-2-phenylethyl)dodecane-1-sulfonamide
CID 71451220
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]dodecane-1-sulfonamide
CID 71458408
N-[2-hydroxy-2-(4-methylphenyl)ethyl]dodecane-1-sulfonamide
CID 71460250
(1R)-2-amino-1-[4-(trifluoromethyl)phenyl]ethan-1-ol
CID 40427581
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]propane-1-sulfonamide
CID 44270986
(1S,2S)-2-amino-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 28743747
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)cyclopropanesulfonamide
CID 56765472
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2,5-dimethylbenzenesulfonamide
CID 56765476
(R)-2-(isobutylsulfonylamino)-1-[p-(trifluoromethyl)phenyl]-1-ethanol
CID 95368245
(R)-2-(4-biphenylyl)-1-[(p-fluorophenyl)methylsulfonylamino]-2-propanol
CID 96351493
2-Hydroxy-2-[4-(trifluoromethyl)phenyl]ethylamine
CID 3271044

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-1-sulfonamide (CID 56765473) is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)NCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-1-sulfonamide?
The InChIKey is IUIMUCXZCZTWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO3S/c1-9(2)8-21(19,20)17-7-12(18)10-3-5-11(6-4-10)13(14,15)16/h3-6,9,12,17-18H,7-8H2,1-2H3.
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-1-sulfonamide?
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-1-sulfonamide has a molecular weight of 325.35 g/mol, XLogP of 2.31, 6 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]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 56765473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).