N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide

C12H15BrFNOS — CID 76753742

IUPACN-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(=NS(=O)C(C)(C)C)c1cc(Br)ccc1F
InChIInChI=1S/C12H15BrFNOS/c1-8(15-17(16)12(2,3)4)10-7-9(13)5-6-11(10)14/h5-7H,1-4H3
InChIKeyWOADMISSFZLHGL-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.86
Rot. Bonds2

About N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide

N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 76753742) has the molecular formula C12H15BrFNOS and a molecular weight of 320.23 g/mol. Its IUPAC name is N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID76753742
Molecular FormulaC12H15BrFNOS
Molecular Weight320.23 g/mol
Exact Mass319.00
IUPAC NameN-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(=NS(=O)C(C)(C)C)c1cc(Br)ccc1F
InChIInChI=1S/C12H15BrFNOS/c1-8(15-17(16)12(2,3)4)10-7-9(13)5-6-11(10)14/h5-7H,1-4H3
InChIKeyWOADMISSFZLHGL-UHFFFAOYSA-N
XLogP3.86
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide (CID 76753742) is N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide is CC(=NS(=O)C(C)(C)C)c1cc(Br)ccc1F.
What is the InChIKey of N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is WOADMISSFZLHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNOS/c1-8(15-17(16)12(2,3)4)10-7-9(13)5-6-11(10)14/h5-7H,1-4H3.
What are the key properties of N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 320.23 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 76753742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).