(NE,R)-N-[1-(3-bromophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide

C12H15BrFNOS — CID 90373172

IUPAC(NE,R)-N-[1-(3-bromophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C(/CF)c1cccc(Br)c1
InChIInChI=1S/C12H15BrFNOS/c1-12(2,3)17(16)15-11(8-14)9-5-4-6-10(13)7-9/h4-7H,8H2,1-3H3/b15-11-/t17-/m1/s1
InChIKeyDBVITPJTPJASMC-JBXOJTMHSA-N
MW320.23 g/mol
LogP3.67
Rot. Bonds3

About (NE,R)-N-[1-(3-bromophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide

(NE,R)-N-[1-(3-bromophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 90373172) has the molecular formula C12H15BrFNOS and a molecular weight of 320.23 g/mol. Its IUPAC name is (NE,R)-N-[1-(3-bromophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-[1-(3-bromophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide
PubChem CID90373172
Molecular FormulaC12H15BrFNOS
Molecular Weight320.23 g/mol
Exact Mass319.00
IUPAC Name(NE,R)-N-[1-(3-bromophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C(/CF)c1cccc(Br)c1
InChIInChI=1S/C12H15BrFNOS/c1-12(2,3)17(16)15-11(8-14)9-5-4-6-10(13)7-9/h4-7H,8H2,1-3H3/b15-11-/t17-/m1/s1
InChIKeyDBVITPJTPJASMC-JBXOJTMHSA-N
XLogP3.67
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.67
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

1-(3-Bromophenyl)ethanone oxime
CID 9584507
(R,E)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 86660404
(NE,R)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 87126802
(R)-N-[(1E)-1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 87126877
(NE,S)-N-[(2-bromo-4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 88956698
(NE,R)-N-[1-(4-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 135083708
(E)-1-(3-bromophenyl)-N-methoxyethanimine
CID 11651524
(NE,S)-N-[1-(4-bromophenyl)-4-chlorobutylidene]-2-methylpropane-2-sulfinamide
CID 46188321
(NE,S)-N-[(3-bromophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 89462449
(NE)-N-[1-(4-bromophenyl)ethylidene]-2-methylpropane-2-sulfonamide
CID 176435049
(NE)-N-[(4-bromo-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 16102910
(NZ,R)-N-[1-(5-bromo-2,4-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 57948956

Frequently Asked Questions

What is the IUPAC name of (NE,R)-N-[1-(3-bromophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-[1-(3-bromophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide (CID 90373172) is (NE,R)-N-[1-(3-bromophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-[1-(3-bromophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-[1-(3-bromophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)/N=C(/CF)c1cccc(Br)c1.
What is the InChIKey of (NE,R)-N-[1-(3-bromophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is DBVITPJTPJASMC-JBXOJTMHSA-N. The full InChI is InChI=1S/C12H15BrFNOS/c1-12(2,3)17(16)15-11(8-14)9-5-4-6-10(13)7-9/h4-7H,8H2,1-3H3/b15-11-/t17-/m1/s1.
What are the key properties of (NE,R)-N-[1-(3-bromophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide?
(NE,R)-N-[1-(3-bromophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 320.23 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-[1-(3-bromophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 90373172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).