2-methyl-N-[1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide

C14H19F4NO2S — CID 78012071

IUPAC2-methyl-N-[1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(CF)(c1ccccc1F)C(F)(F)CO
InChIInChI=1S/C14H19F4NO2S/c1-12(2,3)22(21)19-13(8-15,14(17,18)9-20)10-6-4-5-7-11(10)16/h4-7,19-20H,8-9H2,1-3H3
InChIKeyFZYBKPLSKJQLBP-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.67
Rot. Bonds6

About 2-methyl-N-[1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide

2-methyl-N-[1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide (PubChem CID 78012071) has the molecular formula C14H19F4NO2S and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-methyl-N-[1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide
PubChem CID78012071
Molecular FormulaC14H19F4NO2S
Molecular Weight341.37 g/mol
Exact Mass341.11
IUPAC Name2-methyl-N-[1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(CF)(c1ccccc1F)C(F)(F)CO
InChIInChI=1S/C14H19F4NO2S/c1-12(2,3)22(21)19-13(8-15,14(17,18)9-20)10-6-4-5-7-11(10)16/h4-7,19-20H,8-9H2,1-3H3
InChIKeyFZYBKPLSKJQLBP-UHFFFAOYSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
2-Amino-2-(3,4-difluorophenyl)propan-1-ol
CID 22993475
N-(3-(4-fluorophenyl)oxetan-3-yl)-2-methylpropane-2-sulfinamide
CID 53483243
(S)-2-Amino-2-(2,4-difluorophenyl)propan-1-ol
CID 55277285
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide (CID 78012071) is 2-methyl-N-[1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide is CC(C)(C)S(=O)NC(CF)(c1ccccc1F)C(F)(F)CO.
What is the InChIKey of 2-methyl-N-[1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide?
The InChIKey is FZYBKPLSKJQLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4NO2S/c1-12(2,3)22(21)19-13(8-15,14(17,18)9-20)10-6-4-5-7-11(10)16/h4-7,19-20H,8-9H2,1-3H3.
What are the key properties of 2-methyl-N-[1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide?
2-methyl-N-[1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide has a molecular weight of 341.37 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 78012071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).