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

C15H20F5NO2S — CID 90373007

IUPACN-[(2R,4S)-2-(2,3-difluorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@](C)(C[C@H](O)C(F)(F)F)c1cccc(F)c1F
InChIInChI=1S/C15H20F5NO2S/c1-13(2,3)24(23)21-14(4,8-11(22)15(18,19)20)9-6-5-7-10(16)12(9)17/h5-7,11,21-22H,8H2,1-4H3/t11-,14+,24?/m0/s1
InChIKeyFMTRVBMMTYBVSI-COXBTCNKSA-N
MW373.39 g/mol
LogP3.55
Rot. Bonds5

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

N-[(2R,4S)-2-(2,3-difluorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 90373007) has the molecular formula C15H20F5NO2S and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[(2R,4S)-2-(2,3-difluorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(2R,4S)-2-(2,3-difluorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID90373007
Molecular FormulaC15H20F5NO2S
Molecular Weight373.39 g/mol
Exact Mass373.11
IUPAC NameN-[(2R,4S)-2-(2,3-difluorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@](C)(C[C@H](O)C(F)(F)F)c1cccc(F)c1F
InChIInChI=1S/C15H20F5NO2S/c1-13(2,3)24(23)21-14(4,8-11(22)15(18,19)20)9-6-5-7-10(16)12(9)17/h5-7,11,21-22H,8H2,1-4H3/t11-,14+,24?/m0/s1
InChIKeyFMTRVBMMTYBVSI-COXBTCNKSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-N-[(2S)-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
CID 123856021
N-[2-(2,3-difluorophenyl)-4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-4-oxobutan-2-yl]-2-methylpropane-2-sulfinamide
CID 126569921
(R)-N-[(2S)-2-(2,3-difluorophenyl)-4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-4-oxobutan-2-yl]-2-methylpropane-2-sulfinamide
CID 126569920
N-[(2S)-2-(2,3-difluorophenyl)-4-(5-fluoro-2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)butan-2-yl]-2-methylpropane-2-sulfinamide
CID 126569911
(R)-N-[(2S)-2-(2-fluorophenyl)pent-4-en-2-yl]-2-methylpropane-2-sulfinamide
CID 118399552
(R)-N-[(2S)-2-(2-fluoro-3-methylphenyl)-4-oxobutan-2-yl]-2-methylpropane-2-sulfinamide
CID 126486674
(R)-N-[(2S)-2-(2,3-difluorophenyl)-1-fluoro-4-oxobutan-2-yl]-2-methylpropane-2-sulfinamide
CID 118866341
(R)-2-methyl-N-[(2R,3R,4R)-5,5,5-trifluoro-2-(2-fluorophenyl)-4-hydroxy-3-(2,2,2-trifluoroethoxy)pentan-2-yl]propane-2-sulfinamide;(R)-2-methyl-N-[(2R,3R,4S)-5,5,5-trifluoro-2-(2-fluorophenyl)-4-hydroxy-3-(2,2,2-trifluoroethoxy)pentan-2-yl]propane-2-sulfinamide
CID 158759683
N-[2-(5-bromo-2-fluorophenyl)-4-fluoro-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
CID 90375303
(R)-N-[(4Z)-2-(2,3-difluorophenyl)-4-(dimethylhydrazinylidene)-1,5,5,5-tetrafluoropentan-2-yl]-2-methylpropane-2-sulfinamide
CID 90372751
(R)-N-[(2S)-2-(2,3-difluorophenyl)-4-(dimethylhydrazinylidene)-1,5,5,5-tetrafluoropentan-2-yl]-2-methylpropane-2-sulfinamide
CID 123571737
N-[(2R,4Z)-2-(2,3-difluorophenyl)-4-(dimethylhydrazinylidene)-1,5,5,5-tetrafluoropentan-2-yl]-2-methylpropane-2-sulfinamide
CID 90372747

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-2-(2,3-difluorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(2R,4S)-2-(2,3-difluorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide (CID 90373007) is N-[(2R,4S)-2-(2,3-difluorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(2R,4S)-2-(2,3-difluorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(2R,4S)-2-(2,3-difluorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@](C)(C[C@H](O)C(F)(F)F)c1cccc(F)c1F.
What is the InChIKey of N-[(2R,4S)-2-(2,3-difluorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is FMTRVBMMTYBVSI-COXBTCNKSA-N. The full InChI is InChI=1S/C15H20F5NO2S/c1-13(2,3)24(23)21-14(4,8-11(22)15(18,19)20)9-6-5-7-10(16)12(9)17/h5-7,11,21-22H,8H2,1-4H3/t11-,14+,24?/m0/s1.
What are the key properties of N-[(2R,4S)-2-(2,3-difluorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide?
N-[(2R,4S)-2-(2,3-difluorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 373.39 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-2-(2,3-difluorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 90373007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).