(R)-N-[(5-bromo-3-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide

C11H12BrClFNOS — CID 160752520

IUPAC(R)-N-[(5-bromo-3-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=Cc1cc(Br)cc(Cl)c1F
InChIInChI=1S/C11H12BrClFNOS/c1-11(2,3)17(16)15-6-7-4-8(12)5-9(13)10(7)14/h4-6H,1-3H3/t17-/m1/s1
InChIKeyZKDPUPZQSZUENK-QGZVFWFLSA-N
MW340.65 g/mol
LogP4.12
Rot. Bonds2

About (R)-N-[(5-bromo-3-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide

(R)-N-[(5-bromo-3-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 160752520) has the molecular formula C11H12BrClFNOS and a molecular weight of 340.65 g/mol. Its IUPAC name is (R)-N-[(5-bromo-3-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(5-bromo-3-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID160752520
Molecular FormulaC11H12BrClFNOS
Molecular Weight340.65 g/mol
Exact Mass338.95
IUPAC Name(R)-N-[(5-bromo-3-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=Cc1cc(Br)cc(Cl)c1F
InChIInChI=1S/C11H12BrClFNOS/c1-11(2,3)17(16)15-6-7-4-8(12)5-9(13)10(7)14/h4-6H,1-3H3/t17-/m1/s1
InChIKeyZKDPUPZQSZUENK-QGZVFWFLSA-N
XLogP4.12
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(S)-N-[(5-bromo-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167530717
(NE)-N-[(3-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 89405877
(NZ,R)-N-[(3-bromo-5-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 153291734
(S)-N-[(4-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 70993658
(S)-N-[(5-bromo-2-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167530715
(S)-N-[(3-bromo-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167530745
N-[(5-bromo-2-iodophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 171337597
(NE,S)-N-[(2-bromo-5-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 71725992
(NE,S)-N-[(4-bromo-3-fluoro-2-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 153295550
(R)-N-[(2-bromo-4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide;sulfane
CID 160531768
(R)-N-[[2-chloro-5-(trifluoromethyl)phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 167531051
(S)-N-[[4-bromo-2-(trifluoromethyl)phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 167530732

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(5-bromo-3-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(5-bromo-3-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide (CID 160752520) is (R)-N-[(5-bromo-3-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(5-bromo-3-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(5-bromo-3-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N=Cc1cc(Br)cc(Cl)c1F.
What is the InChIKey of (R)-N-[(5-bromo-3-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is ZKDPUPZQSZUENK-QGZVFWFLSA-N. The full InChI is InChI=1S/C11H12BrClFNOS/c1-11(2,3)17(16)15-6-7-4-8(12)5-9(13)10(7)14/h4-6H,1-3H3/t17-/m1/s1.
What are the key properties of (R)-N-[(5-bromo-3-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
(R)-N-[(5-bromo-3-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 340.65 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(5-bromo-3-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 160752520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).