N-(2,2-difluoro-3-hydroxy-1-phenylpropyl)-2-methylpropane-2-sulfinamide

C13H19F2NO2S — CID 121314661

IUPACN-(2,2-difluoro-3-hydroxy-1-phenylpropyl)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(c1ccccc1)C(F)(F)CO
InChIInChI=1S/C13H19F2NO2S/c1-12(2,3)19(18)16-11(13(14,15)9-17)10-7-5-4-6-8-10/h4-8,11,16-17H,9H2,1-3H3
InChIKeyAIUXMYHFJHXPCP-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.41
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxy-1-phenylpropyl)-2-methylpropane-2-sulfinamide

N-(2,2-difluoro-3-hydroxy-1-phenylpropyl)-2-methylpropane-2-sulfinamide (PubChem CID 121314661) has the molecular formula C13H19F2NO2S and a molecular weight of 291.36 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxy-1-phenylpropyl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxy-1-phenylpropyl)-2-methylpropane-2-sulfinamide
PubChem CID121314661
Molecular FormulaC13H19F2NO2S
Molecular Weight291.36 g/mol
Exact Mass291.11
IUPAC NameN-(2,2-difluoro-3-hydroxy-1-phenylpropyl)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(c1ccccc1)C(F)(F)CO
InChIInChI=1S/C13H19F2NO2S/c1-12(2,3)19(18)16-11(13(14,15)9-17)10-7-5-4-6-8-10/h4-8,11,16-17H,9H2,1-3H3
InChIKeyAIUXMYHFJHXPCP-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-N-[(1S,3R)-3-hydroxy-1-phenylpentyl]-2-methylpropane-2-sulfinamide
CID 11196850
(R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propane-2-sulfinamide
CID 156875474
2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]propane-2-sulfinamide
CID 102258355
(R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]propane-2-sulfinamide
CID 161379144
(S)-2-methyl-N-[(1R)-3-oxo-1-phenylbutyl]propane-2-sulfinamide
CID 11288614
N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]-2-methylpropane-2-sulfinamide
CID 53487467
(R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide
CID 15455980
2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methoxyphenyl)-2-phenylpropyl]propane-2-sulfinamide
CID 122214260
2-methyl-N-[(1S)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]propane-2-sulfinamide
CID 58570968
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-phenylacetate
CID 15850589
2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propane-2-sulfinamide
CID 134988458
N-[(1R,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide
CID 53487456

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxy-1-phenylpropyl)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxy-1-phenylpropyl)-2-methylpropane-2-sulfinamide (CID 121314661) is N-(2,2-difluoro-3-hydroxy-1-phenylpropyl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxy-1-phenylpropyl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxy-1-phenylpropyl)-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC(c1ccccc1)C(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxy-1-phenylpropyl)-2-methylpropane-2-sulfinamide?
The InChIKey is AIUXMYHFJHXPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2S/c1-12(2,3)19(18)16-11(13(14,15)9-17)10-7-5-4-6-8-10/h4-8,11,16-17H,9H2,1-3H3.
What are the key properties of N-(2,2-difluoro-3-hydroxy-1-phenylpropyl)-2-methylpropane-2-sulfinamide?
N-(2,2-difluoro-3-hydroxy-1-phenylpropyl)-2-methylpropane-2-sulfinamide has a molecular weight of 291.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxy-1-phenylpropyl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 121314661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).