(R)-N-[2-fluoro-1-(2-fluoro-3-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide

C13H17F2NOS — CID 86732255

IUPAC(R)-N-[2-fluoro-1-(2-fluoro-3-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCc1cccc(C(CF)=N[S@](=O)C(C)(C)C)c1F
InChIInChI=1S/C13H17F2NOS/c1-9-6-5-7-10(12(9)15)11(8-14)16-18(17)13(2,3)4/h5-7H,8H2,1-4H3/t18-/m1/s1
InChIKeyHUYAWOLCAAUFGH-GOSISDBHSA-N
MW273.35 g/mol
LogP3.35
Rot. Bonds3

About (R)-N-[2-fluoro-1-(2-fluoro-3-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide

(R)-N-[2-fluoro-1-(2-fluoro-3-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 86732255) has the molecular formula C13H17F2NOS and a molecular weight of 273.35 g/mol. Its IUPAC name is (R)-N-[2-fluoro-1-(2-fluoro-3-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[2-fluoro-1-(2-fluoro-3-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID86732255
Molecular FormulaC13H17F2NOS
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Name(R)-N-[2-fluoro-1-(2-fluoro-3-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCc1cccc(C(CF)=N[S@](=O)C(C)(C)C)c1F
InChIInChI=1S/C13H17F2NOS/c1-9-6-5-7-10(12(9)15)11(8-14)16-18(17)13(2,3)4/h5-7H,8H2,1-4H3/t18-/m1/s1
InChIKeyHUYAWOLCAAUFGH-GOSISDBHSA-N
XLogP3.35
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NE,S)-N-[4-chloro-1-(4-fluorophenyl)butylidene]-2-methylpropane-2-sulfinamide
CID 46188500
(NE,R)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 87126802
(NE,R)-N-[(2S)-2-(2,3-difluorophenyl)hex-5-enylidene]-2-methylpropane-2-sulfinamide
CID 89158770
(NE,R)-N-[(2,5-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 132145752
(NE,R)-2-methyl-N-(2,2,2-trifluoro-1-phenylethylidene)propane-2-sulfinamide
CID 11637674
(NE,R)-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethylidene]propane-2-sulfinamide
CID 16083440
3-(4-Fluorophenyl)-4,5-dihydro-1,2-thiazole 1,1-dioxide
CID 44222549
(NE,S)-2-methyl-N-(2,2,2-trifluoro-1-phenylethylidene)propane-2-sulfinamide
CID 60150007
(NE,R)-2-methyl-N-(1,1,1-trifluoro-4-phenylbutan-2-ylidene)propane-2-sulfinamide
CID 135077946
(NE,R)-2-methyl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]propane-2-sulfinamide
CID 135077950
(NE,R)-N-[1-(4-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 135083708
(NE,R)-2-methyl-N-[(E)-1,1,1-trifluoro-4-(4-methylphenyl)but-3-en-2-ylidene]propane-2-sulfinamide
CID 139180627

Frequently Asked Questions

What is the IUPAC name of (R)-N-[2-fluoro-1-(2-fluoro-3-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[2-fluoro-1-(2-fluoro-3-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide (CID 86732255) is (R)-N-[2-fluoro-1-(2-fluoro-3-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[2-fluoro-1-(2-fluoro-3-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[2-fluoro-1-(2-fluoro-3-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide is Cc1cccc(C(CF)=N[S@](=O)C(C)(C)C)c1F.
What is the InChIKey of (R)-N-[2-fluoro-1-(2-fluoro-3-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is HUYAWOLCAAUFGH-GOSISDBHSA-N. The full InChI is InChI=1S/C13H17F2NOS/c1-9-6-5-7-10(12(9)15)11(8-14)16-18(17)13(2,3)4/h5-7H,8H2,1-4H3/t18-/m1/s1.
What are the key properties of (R)-N-[2-fluoro-1-(2-fluoro-3-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide?
(R)-N-[2-fluoro-1-(2-fluoro-3-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 273.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[2-fluoro-1-(2-fluoro-3-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 86732255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).