N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C15H16F3NO3S2 — CID 71796922

IUPACN-(2-hydroxy-2-thiophen-2-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCC(O)(CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C15H16F3NO3S2/c1-14(20,13-3-2-8-23-13)10-19-24(21,22)9-11-4-6-12(7-5-11)15(16,17)18/h2-8,19-20H,9-10H2,1H3
InChIKeyXRJPYPZIDZDNCY-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.09
Rot. Bonds6

About N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 71796922) has the molecular formula C15H16F3NO3S2 and a molecular weight of 379.43 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID71796922
Molecular FormulaC15H16F3NO3S2
Molecular Weight379.43 g/mol
Exact Mass379.05
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCC(O)(CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C15H16F3NO3S2/c1-14(20,13-3-2-8-23-13)10-19-24(21,22)9-11-4-6-12(7-5-11)15(16,17)18/h2-8,19-20H,9-10H2,1H3
InChIKeyXRJPYPZIDZDNCY-UHFFFAOYSA-N
XLogP3.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]propane-1-sulfonamide
CID 97258053
N-(2-hydroxy-2-thiophen-2-ylpropyl)butane-1-sulfonamide
CID 71782464
N-(methylaminomethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 167065322
N-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 68662627
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(4-fluorophenyl)methanesulfonamide
CID 90497105
N-(2-hydroxy-2-phenylpropyl)-1-(4-methylphenyl)methanesulfonamide
CID 110664052
(E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenylethenesulfonamide
CID 90500202
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 124892290
N-[(1-thiophen-2-ylcyclopropyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71796611
N-(2-hydroxy-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide
CID 71782466
N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 95983491
3,3,3-trifluoro-N-(2-hydroxy-2,2-dithiophen-2-ylethyl)propane-1-sulfonamide
CID 119101170

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 71796922) is N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is CC(O)(CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1cccs1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is XRJPYPZIDZDNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO3S2/c1-14(20,13-3-2-8-23-13)10-19-24(21,22)9-11-4-6-12(7-5-11)15(16,17)18/h2-8,19-20H,9-10H2,1H3.
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 379.43 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 71796922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).