N-[(3-bromo-2-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide

C11H13BrClNOS — CID 171337602

IUPACN-[(3-bromo-2-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=Cc1cccc(Br)c1Cl
InChIInChI=1S/C11H13BrClNOS/c1-11(2,3)16(15)14-7-8-5-4-6-9(12)10(8)13/h4-7H,1-3H3
InChIKeyHOYWZILBZSPOFQ-UHFFFAOYSA-N
MW322.66 g/mol
LogP3.98
Rot. Bonds2

About N-[(3-bromo-2-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide

N-[(3-bromo-2-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 171337602) has the molecular formula C11H13BrClNOS and a molecular weight of 322.66 g/mol. Its IUPAC name is N-[(3-bromo-2-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(3-bromo-2-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID171337602
Molecular FormulaC11H13BrClNOS
Molecular Weight322.66 g/mol
Exact Mass320.96
IUPAC NameN-[(3-bromo-2-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=Cc1cccc(Br)c1Cl
InChIInChI=1S/C11H13BrClNOS/c1-11(2,3)16(15)14-7-8-5-4-6-9(12)10(8)13/h4-7H,1-3H3
InChIKeyHOYWZILBZSPOFQ-UHFFFAOYSA-N
XLogP3.98
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.66
LogP ≤ 53.98
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-[(3-bromo-2-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(3-bromo-2-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide (CID 171337602) is N-[(3-bromo-2-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(3-bromo-2-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(3-bromo-2-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N=Cc1cccc(Br)c1Cl.
What is the InChIKey of N-[(3-bromo-2-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is HOYWZILBZSPOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNOS/c1-11(2,3)16(15)14-7-8-5-4-6-9(12)10(8)13/h4-7H,1-3H3.
What are the key properties of N-[(3-bromo-2-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
N-[(3-bromo-2-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 322.66 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 171337602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).