(R)-N-[1-(3-chloro-5-fluoro-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide

C13H17ClFNO2S — CID 165030211

IUPAC(R)-N-[1-(3-chloro-5-fluoro-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCOc1c(Cl)cc(F)cc1C(C)=N[S@](=O)C(C)(C)C
InChIInChI=1S/C13H17ClFNO2S/c1-8(16-19(17)13(2,3)4)10-6-9(15)7-11(14)12(10)18-5/h6-7H,1-5H3/t19-/m1/s1
InChIKeyRZZKVSVJONCFMX-LJQANCHMSA-N
MW305.80 g/mol
LogP3.76
Rot. Bonds3

About (R)-N-[1-(3-chloro-5-fluoro-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide

(R)-N-[1-(3-chloro-5-fluoro-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 165030211) has the molecular formula C13H17ClFNO2S and a molecular weight of 305.80 g/mol. Its IUPAC name is (R)-N-[1-(3-chloro-5-fluoro-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[1-(3-chloro-5-fluoro-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID165030211
Molecular FormulaC13H17ClFNO2S
Molecular Weight305.80 g/mol
Exact Mass305.07
IUPAC Name(R)-N-[1-(3-chloro-5-fluoro-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCOc1c(Cl)cc(F)cc1C(C)=N[S@](=O)C(C)(C)C
InChIInChI=1S/C13H17ClFNO2S/c1-8(16-19(17)13(2,3)4)10-6-9(15)7-11(14)12(10)18-5/h6-7H,1-5H3/t19-/m1/s1
InChIKeyRZZKVSVJONCFMX-LJQANCHMSA-N
XLogP3.76
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[5-fluoro-2-methyl-3-(trifluoromethyl)phenyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 162452478
2-(3-chloro-5-fluoro-2-methoxyphenyl)-2-oxoacetic acid
CID 117337071
(R)-N-[1-(5-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 118305806
2-chloro-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethanone
CID 171007194
(R)-N-[1-(2-chloro-3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 86732268
N-[1-(6-chloro-2,7-dimethoxyquinolin-3-yl)ethylidene]-2-methylpropane-2-sulfinamide
CID 146944204
(NE,R)-N-[1-(2-fluoro-4-methoxy-5-nitrophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 89211362
(R)-N-[1-(4-bromo-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 139531137
N-[1-(3,5-dichlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 142732732
(NE,S)-N-[1-(3,5-dichlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 118110610
ethyl 2-(3-chloro-5-fluoro-2-methoxyphenyl)-2-oxoacetate
CID 117405923
3-amino-1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-one
CID 84794927

Frequently Asked Questions

What is the IUPAC name of (R)-N-[1-(3-chloro-5-fluoro-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[1-(3-chloro-5-fluoro-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide (CID 165030211) is (R)-N-[1-(3-chloro-5-fluoro-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[1-(3-chloro-5-fluoro-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[1-(3-chloro-5-fluoro-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide is COc1c(Cl)cc(F)cc1C(C)=N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-N-[1-(3-chloro-5-fluoro-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is RZZKVSVJONCFMX-LJQANCHMSA-N. The full InChI is InChI=1S/C13H17ClFNO2S/c1-8(16-19(17)13(2,3)4)10-6-9(15)7-11(14)12(10)18-5/h6-7H,1-5H3/t19-/m1/s1.
What are the key properties of (R)-N-[1-(3-chloro-5-fluoro-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide?
(R)-N-[1-(3-chloro-5-fluoro-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 305.80 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[1-(3-chloro-5-fluoro-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 165030211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).