1-(4-fluorophenyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)methanesulfonamide

C16H15F4NO3S — CID 71781996

IUPAC1-(4-fluorophenyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H15F4NO3S/c17-14-8-6-12(7-9-14)10-25(23,24)21-11-15(22,16(18,19)20)13-4-2-1-3-5-13/h1-9,21-22H,10-11H2
InChIKeyJFAAEOBUXWBMKI-UHFFFAOYSA-N
MW377.36 g/mol
LogP2.70
Rot. Bonds6

About 1-(4-fluorophenyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)methanesulfonamide

1-(4-fluorophenyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)methanesulfonamide (PubChem CID 71781996) has the molecular formula C16H15F4NO3S and a molecular weight of 377.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)methanesulfonamide
PubChem CID71781996
Molecular FormulaC16H15F4NO3S
Molecular Weight377.36 g/mol
Exact Mass377.07
IUPAC Name1-(4-fluorophenyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H15F4NO3S/c17-14-8-6-12(7-9-14)10-25(23,24)21-11-15(22,16(18,19)20)13-4-2-1-3-5-13/h1-9,21-22H,10-11H2
InChIKeyJFAAEOBUXWBMKI-UHFFFAOYSA-N
XLogP2.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 52.70
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-[(2S)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 3246205
N-(2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 242440
3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 56764231
2,6-difluoro-N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)benzenesulfonamide
CID 71782180
4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 11100455
N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl) phenyl)-N-(2,2,2-trifluoroethyl) benzenesulfonamide
CID 129852914
(s)-N-(1-hydroxy-1,1-bis(4-(trifluoromethyl)phenyl)propan-2-yl)methanesulfonamide
CID 129882786
(s)-N-(1,1-bis(4-fluorophenyl)-1-hydroxy-3-phenylpropan-2-yl)methanesulfonamide
CID 129884049
(s)-N-(1,1-bis(4-fluorophenyl)-1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide
CID 129884108
(s)-N-(1,1-bis(4-fluorophenyl)-1-hydroxy-4-methylpentan-2-yl)methanesulfonamide
CID 129884111
(s)-N-(1,1-bis(4-fluorophenyl)-1-hydroxy-3-methylbutan-2-yl)methanesulfonamide
CID 129884115

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)methanesulfonamide (CID 71781996) is 1-(4-fluorophenyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCC(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 1-(4-fluorophenyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)methanesulfonamide?
The InChIKey is JFAAEOBUXWBMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4NO3S/c17-14-8-6-12(7-9-14)10-25(23,24)21-11-15(22,16(18,19)20)13-4-2-1-3-5-13/h1-9,21-22H,10-11H2.
What are the key properties of 1-(4-fluorophenyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)methanesulfonamide?
1-(4-fluorophenyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)methanesulfonamide has a molecular weight of 377.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)methanesulfonamide is sourced from PubChem (CID 71781996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).