(S)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide

C12H15BrFNOS — CID 123725529

IUPAC(S)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(=N[S@@](=O)C(C)(C)C)c1cc(Br)ccc1F
InChIInChI=1S/C12H15BrFNOS/c1-8(15-17(16)12(2,3)4)10-7-9(13)5-6-11(10)14/h5-7H,1-4H3/t17-/m0/s1
InChIKeyWOADMISSFZLHGL-KRWDZBQOSA-N
MW320.23 g/mol
LogP3.86
Rot. Bonds2

About (S)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide

(S)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 123725529) has the molecular formula C12H15BrFNOS and a molecular weight of 320.23 g/mol. Its IUPAC name is (S)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID123725529
Molecular FormulaC12H15BrFNOS
Molecular Weight320.23 g/mol
Exact Mass319.00
IUPAC Name(S)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(=N[S@@](=O)C(C)(C)C)c1cc(Br)ccc1F
InChIInChI=1S/C12H15BrFNOS/c1-8(15-17(16)12(2,3)4)10-7-9(13)5-6-11(10)14/h5-7H,1-4H3/t17-/m0/s1
InChIKeyWOADMISSFZLHGL-KRWDZBQOSA-N
XLogP3.86
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.86
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)ethan-1-one oxime
CID 9584507
(R)-N-[(1E)-1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 87126877
2-propanesulfinamide,N-[1-(2-fluoro-5-bromophenyl)ethylidene]-2-methyl,[S(R)]-
CID 58304215
(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
(NE,S)-N-[(2-bromo-4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 88956698
(NE,S)-N-[(2-bromo-5-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 71725992
(NE,R)-N-[1-(4-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 135083708
(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,S)-N-[(2-bromo-6-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 71726061
(NE)-N-[(4-bromo-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 16102910

Frequently Asked Questions

What is the IUPAC name of (S)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide (CID 123725529) is (S)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide is CC(=N[S@@](=O)C(C)(C)C)c1cc(Br)ccc1F.
What is the InChIKey of (S)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is WOADMISSFZLHGL-KRWDZBQOSA-N. The full InChI is InChI=1S/C12H15BrFNOS/c1-8(15-17(16)12(2,3)4)10-7-9(13)5-6-11(10)14/h5-7H,1-4H3/t17-/m0/s1.
What are the key properties of (S)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
(S)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 320.23 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 123725529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).