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

C12H15BrClNOS — CID 118305806

IUPAC(R)-N-[1-(5-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(=N[S@](=O)C(C)(C)C)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H15BrClNOS/c1-8(15-17(16)12(2,3)4)10-7-9(13)5-6-11(10)14/h5-7H,1-4H3/t17-/m1/s1
InChIKeyHQMVQVXGOAMBED-QGZVFWFLSA-N
MW336.68 g/mol
LogP4.37
Rot. Bonds2

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

(R)-N-[1-(5-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 118305806) has the molecular formula C12H15BrClNOS and a molecular weight of 336.68 g/mol. Its IUPAC name is (R)-N-[1-(5-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[1-(5-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID118305806
Molecular FormulaC12H15BrClNOS
Molecular Weight336.68 g/mol
Exact Mass334.97
IUPAC Name(R)-N-[1-(5-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(=N[S@](=O)C(C)(C)C)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H15BrClNOS/c1-8(15-17(16)12(2,3)4)10-7-9(13)5-6-11(10)14/h5-7H,1-4H3/t17-/m1/s1
InChIKeyHQMVQVXGOAMBED-QGZVFWFLSA-N
XLogP4.37
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.68
LogP ≤ 54.37
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 (R)-N-[1-(5-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[1-(5-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide (CID 118305806) is (R)-N-[1-(5-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[1-(5-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[1-(5-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide is CC(=N[S@](=O)C(C)(C)C)c1cc(Br)ccc1Cl.
What is the InChIKey of (R)-N-[1-(5-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is HQMVQVXGOAMBED-QGZVFWFLSA-N. The full InChI is InChI=1S/C12H15BrClNOS/c1-8(15-17(16)12(2,3)4)10-7-9(13)5-6-11(10)14/h5-7H,1-4H3/t17-/m1/s1.
What are the key properties of (R)-N-[1-(5-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
(R)-N-[1-(5-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 336.68 g/mol, XLogP of 4.37, 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-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 118305806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).