N-[3-fluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide

C14H21F2NO2S — CID 78056402

IUPACN-[3-fluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)(c1ccccc1F)C(F)CO
InChIInChI=1S/C14H21F2NO2S/c1-13(2,3)20(19)17-14(4,12(16)9-18)10-7-5-6-8-11(10)15/h5-8,12,17-18H,9H2,1-4H3
InChIKeyPQOXGDYWOZAVMW-UHFFFAOYSA-N
MW305.39 g/mol
LogP2.42
Rot. Bonds5

About N-[3-fluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide

N-[3-fluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 78056402) has the molecular formula C14H21F2NO2S and a molecular weight of 305.39 g/mol. Its IUPAC name is N-[3-fluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[3-fluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID78056402
Molecular FormulaC14H21F2NO2S
Molecular Weight305.39 g/mol
Exact Mass305.13
IUPAC NameN-[3-fluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)(c1ccccc1F)C(F)CO
InChIInChI=1S/C14H21F2NO2S/c1-13(2,3)20(19)17-14(4,12(16)9-18)10-7-5-6-8-11(10)15/h5-8,12,17-18H,9H2,1-4H3
InChIKeyPQOXGDYWOZAVMW-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 52.42
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
3-Amino-3-phenylbutan-1-ol
CID 57627709
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
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

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[3-fluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide (CID 78056402) is N-[3-fluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[3-fluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[3-fluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide is CC(NS(=O)C(C)(C)C)(c1ccccc1F)C(F)CO.
What is the InChIKey of N-[3-fluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is PQOXGDYWOZAVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2S/c1-13(2,3)20(19)17-14(4,12(16)9-18)10-7-5-6-8-11(10)15/h5-8,12,17-18H,9H2,1-4H3.
What are the key properties of N-[3-fluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide?
N-[3-fluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 305.39 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 78056402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).