(NE,R)-N-[(4-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide

C11H13ClFNOS — CID 58048503

IUPAC(NE,R)-N-[(4-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/c1ccc(Cl)cc1F
InChIInChI=1S/C11H13ClFNOS/c1-11(2,3)16(15)14-7-8-4-5-9(12)6-10(8)13/h4-7H,1-3H3/b14-7+/t16-/m1/s1
InChIKeyAEOXNUXADLBEIU-SNQWNFELSA-N
MW261.75 g/mol
LogP3.36
Rot. Bonds2

About (NE,R)-N-[(4-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide

(NE,R)-N-[(4-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 58048503) has the molecular formula C11H13ClFNOS and a molecular weight of 261.75 g/mol. Its IUPAC name is (NE,R)-N-[(4-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-[(4-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID58048503
Molecular FormulaC11H13ClFNOS
Molecular Weight261.75 g/mol
Exact Mass261.04
IUPAC Name(NE,R)-N-[(4-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/c1ccc(Cl)cc1F
InChIInChI=1S/C11H13ClFNOS/c1-11(2,3)16(15)14-7-8-4-5-9(12)6-10(8)13/h4-7H,1-3H3/b14-7+/t16-/m1/s1
InChIKeyAEOXNUXADLBEIU-SNQWNFELSA-N
XLogP3.36
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.36
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

[(4-Chlorophenyl)methylidene](methyl)amine
CID 11062589
[N(E),S(S)]-N-(4-chlorophenyl)methyleneperfluorobutanesulfinamide
CID 138395052
(S)-N-[(4-chlorophenyl)methylidene]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide
CID 125477343
(NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 17748530
(NE)-N-[(2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 89500889
(NE,R)-N-[(2,5-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 132145752
(NE)-4-chloro-N-[(4-fluorophenyl)methylidene]benzenesulfinamide
CID 135044993
(NE,R)-N-[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]-2-methylpropane-2-sulfinamide
CID 135077952
(NE,S)-N-[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]-2-methylpropane-2-sulfinamide
CID 135078552
(NE,R)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 135079230
(S)-N-(4-chlorobenzylidene)-2-methylpropane-2-sulfinamide
CID 11817387
(S)-N-[(1E)-(4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 12171905

Frequently Asked Questions

What is the IUPAC name of (NE,R)-N-[(4-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-[(4-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide (CID 58048503) is (NE,R)-N-[(4-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-[(4-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-[(4-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)/N=C/c1ccc(Cl)cc1F.
What is the InChIKey of (NE,R)-N-[(4-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is AEOXNUXADLBEIU-SNQWNFELSA-N. The full InChI is InChI=1S/C11H13ClFNOS/c1-11(2,3)16(15)14-7-8-4-5-9(12)6-10(8)13/h4-7H,1-3H3/b14-7+/t16-/m1/s1.
What are the key properties of (NE,R)-N-[(4-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
(NE,R)-N-[(4-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 261.75 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-[(4-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 58048503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).