(NZ)-N-[1-(4-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide

C12H15BrClNOS — CID 166458508

IUPAC(NZ)-N-[1-(4-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N/S(=O)C(C)(C)C)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H15BrClNOS/c1-8(15-17(16)12(2,3)4)10-6-5-9(13)7-11(10)14/h5-7H,1-4H3/b15-8-
InChIKeyQYFOKXXXWQRTPO-NVNXTCNLSA-N
MW336.68 g/mol
LogP4.37
Rot. Bonds2

About (NZ)-N-[1-(4-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide

(NZ)-N-[1-(4-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 166458508) has the molecular formula C12H15BrClNOS and a molecular weight of 336.68 g/mol. Its IUPAC name is (NZ)-N-[1-(4-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NZ)-N-[1-(4-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID166458508
Molecular FormulaC12H15BrClNOS
Molecular Weight336.68 g/mol
Exact Mass334.97
IUPAC Name(NZ)-N-[1-(4-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N/S(=O)C(C)(C)C)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H15BrClNOS/c1-8(15-17(16)12(2,3)4)10-6-5-9(13)7-11(10)14/h5-7H,1-4H3/b15-8-
InChIKeyQYFOKXXXWQRTPO-NVNXTCNLSA-N
XLogP4.37
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.68
LogP ≤ 54.37
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)-N-[1-(5-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 118305806
(NE,R)-N-[1-(4-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 153436878
(R)-N-[1-(4-bromo-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 139531137
(NE,R)-N-[1-[4-bromo-2-(methoxymethoxy)phenyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 170329219
(NE,R)-N-[1-(5-bromo-3-chlorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
CID 89095279
(R)-N-[1-(3-bromo-2-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 123770809
(NZ,R)-N-[1-(4-bromothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
CID 59764141
(R)-N-[1-(2-chloro-3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 86732268
(NE,S)-N-[1-[2-fluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 155265401
(R)-N-[1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]-2-methylpropane-2-sulfinamide
CID 86715725
(S)-N-[(2-amino-5-bromophenyl)-phenylmethylidene]-2-methylpropane-2-sulfinamide
CID 125499883
(R)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide
CID 129382914

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(4-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NZ)-N-[1-(4-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide (CID 166458508) is (NZ)-N-[1-(4-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NZ)-N-[1-(4-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NZ)-N-[1-(4-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide is C/C(=N/S(=O)C(C)(C)C)c1ccc(Br)cc1Cl.
What is the InChIKey of (NZ)-N-[1-(4-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is QYFOKXXXWQRTPO-NVNXTCNLSA-N. The full InChI is InChI=1S/C12H15BrClNOS/c1-8(15-17(16)12(2,3)4)10-6-5-9(13)7-11(10)14/h5-7H,1-4H3/b15-8-.
What are the key properties of (NZ)-N-[1-(4-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
(NZ)-N-[1-(4-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 336.68 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(4-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 166458508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).