(R)-N-[(4-bromo-3-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide

C11H13BrClNOS — CID 167530704

IUPAC(R)-N-[(4-bromo-3-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=Cc1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H13BrClNOS/c1-11(2,3)16(15)14-7-8-4-5-9(12)10(13)6-8/h4-7H,1-3H3/t16-/m1/s1
InChIKeyGROKSZNYBBSIEX-MRXNPFEDSA-N
MW322.66 g/mol
LogP3.98
Rot. Bonds2

About (R)-N-[(4-bromo-3-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide

(R)-N-[(4-bromo-3-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 167530704) has the molecular formula C11H13BrClNOS and a molecular weight of 322.66 g/mol. Its IUPAC name is (R)-N-[(4-bromo-3-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(4-bromo-3-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID167530704
Molecular FormulaC11H13BrClNOS
Molecular Weight322.66 g/mol
Exact Mass320.96
IUPAC Name(R)-N-[(4-bromo-3-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=Cc1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H13BrClNOS/c1-11(2,3)16(15)14-7-8-4-5-9(12)10(13)6-8/h4-7H,1-3H3/t16-/m1/s1
InChIKeyGROKSZNYBBSIEX-MRXNPFEDSA-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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Related Compounds

(NE,R)-N-[(3-bromo-4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 163337433
(R)-N-[(3,4-dichlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 67122775
(NE,S)-N-[(4-bromo-3-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 171666329
(R)-N-[(3-chloro-4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 98010149
(R)-N-[(4-chloro-3-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 71033001
(NZ,R)-N-[(3-bromo-5-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 153291734
(R)-N-[(2-bromo-5-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167530767
(R)-N-[(2-bromo-4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide;sulfane
CID 160531768
(NE,S)-N-[(4-chloro-3,5-dimethylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 58374474
(NE,R)-2-methyl-N-[(3-methylphenyl)methylidene]propane-2-sulfinamide
CID 155662866
(NE,R)-2-methyl-N-[(4-propan-2-ylphenyl)methylidene]propane-2-sulfinamide
CID 155662872
(NE,S)-N-[(6-bromo-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
CID 163337448

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(4-bromo-3-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(4-bromo-3-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide (CID 167530704) is (R)-N-[(4-bromo-3-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(4-bromo-3-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(4-bromo-3-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N=Cc1ccc(Br)c(Cl)c1.
What is the InChIKey of (R)-N-[(4-bromo-3-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is GROKSZNYBBSIEX-MRXNPFEDSA-N. The full InChI is InChI=1S/C11H13BrClNOS/c1-11(2,3)16(15)14-7-8-4-5-9(12)10(13)6-8/h4-7H,1-3H3/t16-/m1/s1.
What are the key properties of (R)-N-[(4-bromo-3-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
(R)-N-[(4-bromo-3-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 (R)-N-[(4-bromo-3-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 167530704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).