2-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)ethanesulfonamide

C17H18F3NO3S — CID 56764226

IUPAC2-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H18F3NO3S/c18-17(19,20)16(22,15-9-5-2-6-10-15)13-21-25(23,24)12-11-14-7-3-1-4-8-14/h1-10,21-22H,11-13H2
InChIKeyNTPHBBMENKHYFH-UHFFFAOYSA-N
MW373.40 g/mol
LogP2.60
Rot. Bonds7

About 2-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)ethanesulfonamide

2-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)ethanesulfonamide (PubChem CID 56764226) has the molecular formula C17H18F3NO3S and a molecular weight of 373.40 g/mol. Its IUPAC name is 2-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)ethanesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)ethanesulfonamide
PubChem CID56764226
Molecular FormulaC17H18F3NO3S
Molecular Weight373.40 g/mol
Exact Mass373.10
IUPAC Name2-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H18F3NO3S/c18-17(19,20)16(22,15-9-5-2-6-10-15)13-21-25(23,24)12-11-14-7-3-1-4-8-14/h1-10,21-22H,11-13H2
InChIKeyNTPHBBMENKHYFH-UHFFFAOYSA-N
XLogP2.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 52.60
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-[(2S)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 3246205
N-(2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 242440
N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 56764232
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)cyclopropanesulfonamide
CID 56765472
1-(4-fluorophenyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)methanesulfonamide
CID 71781996
2,6-difluoro-N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)benzenesulfonamide
CID 71782180
(S)-1,1,1-trifluoro-3-(4-fluoro-3-tolylsulfonylamino)-2-phenyl-2-propanol
CID 95367399
(R)-2-(isobutylsulfonylamino)-1-[p-(trifluoromethyl)phenyl]-1-ethanol
CID 95368245
(S)-1-cyclopropyl-1-phenyl-2-[p-(trifluoromethyl)phenylsulfonylamino]-1-ethanol
CID 95379531
(S)-1-[(2,5-difluorophenyl)methylsulfonylamino]-2-methyl-4-phenyl-2-butanol
CID 95986127

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)ethanesulfonamide?
The IUPAC name of 2-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)ethanesulfonamide (CID 56764226) is 2-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)ethanesulfonamide.
What is the SMILES notation for 2-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)ethanesulfonamide?
The canonical SMILES for 2-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)ethanesulfonamide is O=S(=O)(CCc1ccccc1)NCC(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)ethanesulfonamide?
The InChIKey is NTPHBBMENKHYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO3S/c18-17(19,20)16(22,15-9-5-2-6-10-15)13-21-25(23,24)12-11-14-7-3-1-4-8-14/h1-10,21-22H,11-13H2.
What are the key properties of 2-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)ethanesulfonamide?
2-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)ethanesulfonamide has a molecular weight of 373.40 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)ethanesulfonamide is sourced from PubChem (CID 56764226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).