(S)-N-[(2R)-3,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide

C14H20F3NO2S — CID 71261567

IUPAC(S)-N-[(2R)-3,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@](C)(c1ccccc1F)C(F)(F)CO
InChIInChI=1S/C14H20F3NO2S/c1-12(2,3)21(20)18-13(4,14(16,17)9-19)10-7-5-6-8-11(10)15/h5-8,18-19H,9H2,1-4H3/t13-,21+/m1/s1
InChIKeyRSXAXRMDIZVXPZ-ASSNKEHSSA-N
MW323.38 g/mol
LogP2.72
Rot. Bonds5

About (S)-N-[(2R)-3,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide

(S)-N-[(2R)-3,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 71261567) has the molecular formula C14H20F3NO2S and a molecular weight of 323.38 g/mol. Its IUPAC name is (S)-N-[(2R)-3,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(2R)-3,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID71261567
Molecular FormulaC14H20F3NO2S
Molecular Weight323.38 g/mol
Exact Mass323.12
IUPAC Name(S)-N-[(2R)-3,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@](C)(c1ccccc1F)C(F)(F)CO
InChIInChI=1S/C14H20F3NO2S/c1-12(2,3)21(20)18-13(4,14(16,17)9-19)10-7-5-6-8-11(10)15/h5-8,18-19H,9H2,1-4H3/t13-,21+/m1/s1
InChIKeyRSXAXRMDIZVXPZ-ASSNKEHSSA-N
XLogP2.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (S)-N-[(2R)-3,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-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
2-Amino-3,3,3-trifluoro-2-phenylpropan-1-ol
CID 75431955
(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
3-Amino-3-phenylbutan-1-ol
CID 57627709
(2S)-2-amino-3,3,3-trifluoro-2-phenylpropan-1-ol
CID 97300372
4-Amino-1,7-difluoro-4-phenylheptane-2,6-diol
CID 21619246
2-Amino-2-(3,4-difluorophenyl)propan-1-ol
CID 22993475
2-Amino-2-(4-fluorophenyl)propan-1-ol
CID 45032289

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(2R)-3,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(2R)-3,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide (CID 71261567) is (S)-N-[(2R)-3,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(2R)-3,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(2R)-3,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)N[C@](C)(c1ccccc1F)C(F)(F)CO.
What is the InChIKey of (S)-N-[(2R)-3,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is RSXAXRMDIZVXPZ-ASSNKEHSSA-N. The full InChI is InChI=1S/C14H20F3NO2S/c1-12(2,3)21(20)18-13(4,14(16,17)9-19)10-7-5-6-8-11(10)15/h5-8,18-19H,9H2,1-4H3/t13-,21+/m1/s1.
What are the key properties of (S)-N-[(2R)-3,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide?
(S)-N-[(2R)-3,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 323.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(2R)-3,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 71261567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).