(NZ)-N-[1-(4-bromophenyl)-2,2-difluoroethylidene]-2-methylpropane-2-sulfinamide

C12H14BrF2NOS — CID 139530985

IUPAC(NZ)-N-[1-(4-bromophenyl)-2,2-difluoroethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)/N=C(/c1ccc(Br)cc1)C(F)F
InChIInChI=1S/C12H14BrF2NOS/c1-12(2,3)18(17)16-10(11(14)15)8-4-6-9(13)7-5-8/h4-7,11H,1-3H3/b16-10-
InChIKeyPRFACJIMAOJYPR-YBEGLDIGSA-N
MW338.22 g/mol
LogP3.97
Rot. Bonds3

About (NZ)-N-[1-(4-bromophenyl)-2,2-difluoroethylidene]-2-methylpropane-2-sulfinamide

(NZ)-N-[1-(4-bromophenyl)-2,2-difluoroethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 139530985) has the molecular formula C12H14BrF2NOS and a molecular weight of 338.22 g/mol. Its IUPAC name is (NZ)-N-[1-(4-bromophenyl)-2,2-difluoroethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NZ)-N-[1-(4-bromophenyl)-2,2-difluoroethylidene]-2-methylpropane-2-sulfinamide
PubChem CID139530985
Molecular FormulaC12H14BrF2NOS
Molecular Weight338.22 g/mol
Exact Mass336.99
IUPAC Name(NZ)-N-[1-(4-bromophenyl)-2,2-difluoroethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)/N=C(/c1ccc(Br)cc1)C(F)F
InChIInChI=1S/C12H14BrF2NOS/c1-12(2,3)18(17)16-10(11(14)15)8-4-6-9(13)7-5-8/h4-7,11H,1-3H3/b16-10-
InChIKeyPRFACJIMAOJYPR-YBEGLDIGSA-N
XLogP3.97
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 53.97
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

(R,E)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 86660404
(R)-N-[(1E)-1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 87126877
(NE,R)-2-methyl-N-(2,2,2-trifluoro-1-phenylethylidene)propane-2-sulfinamide
CID 11637674
(NE,S)-2-methyl-N-(2,2,2-trifluoro-1-phenylethylidene)propane-2-sulfinamide
CID 60150007
(E)-1-(4-bromophenyl)-2,2-difluoro-N-trimethylsilylethanimine
CID 135057207
(NE)-1,1,1-trifluoro-N-(1-phenylethylidene)methanesulfinamide
CID 176438315
N'-[1-(4-bromophenyl)ethylidene]methanesulfonohydrazide
CID 5333914
(S)-N-(4-bromobenzylidene)-2-methylpropane-2-sulfinamide
CID 12171907
(R)-N-(4-bromobenzylidene)-2-methylpropane-2-sulfinamide
CID 12195522
(S)-N-[(1E)-(4-bromophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 42632102
(NE,S)-N-[1-(4-bromophenyl)-4-chlorobutylidene]-2-methylpropane-2-sulfinamide
CID 46188321
(NE)-N-[1-(4-bromophenyl)ethylidene]-2-methylpropane-2-sulfonamide
CID 176435049

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(4-bromophenyl)-2,2-difluoroethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NZ)-N-[1-(4-bromophenyl)-2,2-difluoroethylidene]-2-methylpropane-2-sulfinamide (CID 139530985) is (NZ)-N-[1-(4-bromophenyl)-2,2-difluoroethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NZ)-N-[1-(4-bromophenyl)-2,2-difluoroethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NZ)-N-[1-(4-bromophenyl)-2,2-difluoroethylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)/N=C(/c1ccc(Br)cc1)C(F)F.
What is the InChIKey of (NZ)-N-[1-(4-bromophenyl)-2,2-difluoroethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is PRFACJIMAOJYPR-YBEGLDIGSA-N. The full InChI is InChI=1S/C12H14BrF2NOS/c1-12(2,3)18(17)16-10(11(14)15)8-4-6-9(13)7-5-8/h4-7,11H,1-3H3/b16-10-.
What are the key properties of (NZ)-N-[1-(4-bromophenyl)-2,2-difluoroethylidene]-2-methylpropane-2-sulfinamide?
(NZ)-N-[1-(4-bromophenyl)-2,2-difluoroethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 338.22 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(4-bromophenyl)-2,2-difluoroethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 139530985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).