(NE,R)-N-[(2,3-dichloro-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide

C11H13Cl2NO2S — CID 137247694

IUPAC(NE,R)-N-[(2,3-dichloro-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/c1c(O)ccc(Cl)c1Cl
InChIInChI=1S/C11H13Cl2NO2S/c1-11(2,3)17(16)14-6-7-9(15)5-4-8(12)10(7)13/h4-6,15H,1-3H3/b14-6+/t17-/m1/s1
InChIKeySTEFRUFXPUYLKD-VNOAQLAMSA-N
MW294.20 g/mol
LogP3.58
Rot. Bonds2

About (NE,R)-N-[(2,3-dichloro-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide

(NE,R)-N-[(2,3-dichloro-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 137247694) has the molecular formula C11H13Cl2NO2S and a molecular weight of 294.20 g/mol. Its IUPAC name is (NE,R)-N-[(2,3-dichloro-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-[(2,3-dichloro-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID137247694
Molecular FormulaC11H13Cl2NO2S
Molecular Weight294.20 g/mol
Exact Mass293.00
IUPAC Name(NE,R)-N-[(2,3-dichloro-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/c1c(O)ccc(Cl)c1Cl
InChIInChI=1S/C11H13Cl2NO2S/c1-11(2,3)17(16)14-6-7-9(15)5-4-8(12)10(7)13/h4-6,15H,1-3H3/b14-6+/t17-/m1/s1
InChIKeySTEFRUFXPUYLKD-VNOAQLAMSA-N
XLogP3.58
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromo-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 172724895
(NE)-N-[(2-bromo-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167527143
N-[(2-chloro-6-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 171337628
(R)-N-[(3,4-dichlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 67122775
(R)-N-[[2-chloro-5-(trifluoromethyl)phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 167531051
N-[(4-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 136614195
(NE)-N-[(2,6-dimethylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 87750973
(R)-N-[(4-chloro-3-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 71033001
(NE,R)-N-[(3-bromo-4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 163337433
(S)-N-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 150635533
N-[(2,6-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 123786002
(NE,S)-N-[(4-chloro-3,5-dimethylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 58374474

Frequently Asked Questions

What is the IUPAC name of (NE,R)-N-[(2,3-dichloro-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-[(2,3-dichloro-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide (CID 137247694) is (NE,R)-N-[(2,3-dichloro-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-[(2,3-dichloro-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-[(2,3-dichloro-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)/N=C/c1c(O)ccc(Cl)c1Cl.
What is the InChIKey of (NE,R)-N-[(2,3-dichloro-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is STEFRUFXPUYLKD-VNOAQLAMSA-N. The full InChI is InChI=1S/C11H13Cl2NO2S/c1-11(2,3)17(16)14-6-7-9(15)5-4-8(12)10(7)13/h4-6,15H,1-3H3/b14-6+/t17-/m1/s1.
What are the key properties of (NE,R)-N-[(2,3-dichloro-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
(NE,R)-N-[(2,3-dichloro-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 294.20 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-[(2,3-dichloro-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 137247694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).