(R)-N-[1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]-2-methylpropane-2-sulfinamide

C12H12BrF4NOS — CID 86715725

IUPAC(R)-N-[1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=C(c1cc(Br)ccc1F)C(F)(F)F
InChIInChI=1S/C12H12BrF4NOS/c1-11(2,3)20(19)18-10(12(15,16)17)8-6-7(13)4-5-9(8)14/h4-6H,1-3H3/t20-/m1/s1
InChIKeyHJWGTWVCGBXBML-HXUWFJFHSA-N
MW374.20 g/mol
LogP4.40
Rot. Bonds2

About (R)-N-[1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]-2-methylpropane-2-sulfinamide

(R)-N-[1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 86715725) has the molecular formula C12H12BrF4NOS and a molecular weight of 374.20 g/mol. Its IUPAC name is (R)-N-[1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]-2-methylpropane-2-sulfinamide
PubChem CID86715725
Molecular FormulaC12H12BrF4NOS
Molecular Weight374.20 g/mol
Exact Mass372.98
IUPAC Name(R)-N-[1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=C(c1cc(Br)ccc1F)C(F)(F)F
InChIInChI=1S/C12H12BrF4NOS/c1-11(2,3)20(19)18-10(12(15,16)17)8-6-7(13)4-5-9(8)14/h4-6H,1-3H3/t20-/m1/s1
InChIKeyHJWGTWVCGBXBML-HXUWFJFHSA-N
XLogP4.40
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.20
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (R)-N-[1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]-2-methylpropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5-bromo-2-fluorophenyl)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropylidene]-2-methylpropane-2-sulfinamide
CID 86650272
(NZ)-N-[1-(5-bromo-2-fluorophenyl)-2,2-difluoroethylidene]-2-methylpropane-2-sulfinamide
CID 87096337
(NE,R)-N-[1-(4-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 153436878
ethyl 2-(5-bromo-2-fluorophenyl)-2-[(S)-tert-butylsulfinyl]iminoacetate
CID 86651223
(NZ)-N-[(5-bromo-2-fluorophenyl)-(2-cyano-3-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 58579495
(R)-N-[1-(5-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 118305806
(NE,R)-2-methyl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]propane-2-sulfinamide
CID 135077950
1-(5-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-one
CID 126982063
(NZ,S)-2-methyl-N-[2,2,2-trifluoro-1-(2-methoxyphenyl)ethylidene]propane-2-sulfinamide
CID 71560122
(S)-N-[(5-bromo-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167530717
(NZ)-N-[1-(4-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 166458508
(S)-N-[(2-amino-5-bromophenyl)-phenylmethylidene]-2-methylpropane-2-sulfinamide
CID 125499883

Frequently Asked Questions

What is the IUPAC name of (R)-N-[1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]-2-methylpropane-2-sulfinamide (CID 86715725) is (R)-N-[1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N=C(c1cc(Br)ccc1F)C(F)(F)F.
What is the InChIKey of (R)-N-[1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is HJWGTWVCGBXBML-HXUWFJFHSA-N. The full InChI is InChI=1S/C12H12BrF4NOS/c1-11(2,3)20(19)18-10(12(15,16)17)8-6-7(13)4-5-9(8)14/h4-6H,1-3H3/t20-/m1/s1.
What are the key properties of (R)-N-[1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]-2-methylpropane-2-sulfinamide?
(R)-N-[1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 374.20 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 86715725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).