(R)-N-[(2S,4S)-2-(2,3-difluorophenyl)-1,5,5,5-tetrafluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide

C15H19F6NO2S — CID 86732222

IUPAC(R)-N-[(2S,4S)-2-(2,3-difluorophenyl)-1,5,5,5-tetrafluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@](CF)(C[C@H](O)C(F)(F)F)c1cccc(F)c1F
InChIInChI=1S/C15H19F6NO2S/c1-13(2,3)25(24)22-14(8-16,7-11(23)15(19,20)21)9-5-4-6-10(17)12(9)18/h4-6,11,22-23H,7-8H2,1-3H3/t11-,14+,25+/m0/s1
InChIKeyWHTNBGMJHCBLES-YOAWEGBWSA-N
MW391.38 g/mol
LogP3.49
Rot. Bonds6

About (R)-N-[(2S,4S)-2-(2,3-difluorophenyl)-1,5,5,5-tetrafluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(2S,4S)-2-(2,3-difluorophenyl)-1,5,5,5-tetrafluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 86732222) has the molecular formula C15H19F6NO2S and a molecular weight of 391.38 g/mol. Its IUPAC name is (R)-N-[(2S,4S)-2-(2,3-difluorophenyl)-1,5,5,5-tetrafluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(2S,4S)-2-(2,3-difluorophenyl)-1,5,5,5-tetrafluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID86732222
Molecular FormulaC15H19F6NO2S
Molecular Weight391.38 g/mol
Exact Mass391.10
IUPAC Name(R)-N-[(2S,4S)-2-(2,3-difluorophenyl)-1,5,5,5-tetrafluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@](CF)(C[C@H](O)C(F)(F)F)c1cccc(F)c1F
InChIInChI=1S/C15H19F6NO2S/c1-13(2,3)25(24)22-14(8-16,7-11(23)15(19,20)21)9-5-4-6-10(17)12(9)18/h4-6,11,22-23H,7-8H2,1-3H3/t11-,14+,25+/m0/s1
InChIKeyWHTNBGMJHCBLES-YOAWEGBWSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (R)-N-[(2S,4S)-2-(2,3-difluorophenyl)-1,5,5,5-tetrafluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

(R)-2-methyl-N-[(2S,4R)-5,5,5-trifluoro-2-(2-fluorophenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide
CID 71663326
(2R,4S)-4-amino-1,1,1-trifluoro-4-(2-fluorophenyl)pentan-2-ol
CID 71663328
(R)-N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 134967721
(R)-N-[(1S,2R)-1-(4-fluorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide
CID 135000448
(S)-2-methyl-N-[(2S)-1,1,1-trifluoro-5-hydroxy-2-phenylpentan-2-yl]propane-2-sulfinamide
CID 139193293
(S)-2-methyl-N-[(2R,3R)-1,1,1-trifluoro-5-hydroxy-2-methyl-3-phenylpentan-2-yl]propane-2-sulfinamide
CID 139193299
4-Amino-1,7-difluoro-4-phenylheptane-2,6-diol
CID 21619246
N-[(2R)-2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
CID 58304246
3-Amino-4,4,4-trifluoro-3-(3-methylphenyl)butan-1-ol
CID 58377033
3-Amino-3-(2-fluorophenyl)butan-1-ol
CID 65240017
N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide
CID 67025462
N-[(2S,4R)-2-(3-bromo-4-fluorophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide
CID 67025463

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(2S,4S)-2-(2,3-difluorophenyl)-1,5,5,5-tetrafluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(2S,4S)-2-(2,3-difluorophenyl)-1,5,5,5-tetrafluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide (CID 86732222) is (R)-N-[(2S,4S)-2-(2,3-difluorophenyl)-1,5,5,5-tetrafluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(2S,4S)-2-(2,3-difluorophenyl)-1,5,5,5-tetrafluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(2S,4S)-2-(2,3-difluorophenyl)-1,5,5,5-tetrafluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@](CF)(C[C@H](O)C(F)(F)F)c1cccc(F)c1F.
What is the InChIKey of (R)-N-[(2S,4S)-2-(2,3-difluorophenyl)-1,5,5,5-tetrafluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is WHTNBGMJHCBLES-YOAWEGBWSA-N. The full InChI is InChI=1S/C15H19F6NO2S/c1-13(2,3)25(24)22-14(8-16,7-11(23)15(19,20)21)9-5-4-6-10(17)12(9)18/h4-6,11,22-23H,7-8H2,1-3H3/t11-,14+,25+/m0/s1.
What are the key properties of (R)-N-[(2S,4S)-2-(2,3-difluorophenyl)-1,5,5,5-tetrafluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(2S,4S)-2-(2,3-difluorophenyl)-1,5,5,5-tetrafluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 391.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(2S,4S)-2-(2,3-difluorophenyl)-1,5,5,5-tetrafluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 86732222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).