1-(4-chlorophenyl)-N-methoxy-2-[(R)-(4-methoxyphenyl)methylsulfinyl]ethanimine

C17H18ClNO3S — CID 11875143

IUPAC1-(4-chlorophenyl)-N-methoxy-2-[(R)-(4-methoxyphenyl)methylsulfinyl]ethanimine
SMILESCON=C(C[S@](=O)Cc1ccc(OC)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO3S/c1-21-16-9-3-13(4-10-16)11-23(20)12-17(19-22-2)14-5-7-15(18)8-6-14/h3-10H,11-12H2,1-2H3/t23-/m1/s1
InChIKeyRCMXYUDOJZCSBP-HSZRJFAPSA-N
MW351.86 g/mol
LogP3.65
Rot. Bonds7

About 1-(4-chlorophenyl)-N-methoxy-2-[(R)-(4-methoxyphenyl)methylsulfinyl]ethanimine

1-(4-chlorophenyl)-N-methoxy-2-[(R)-(4-methoxyphenyl)methylsulfinyl]ethanimine (PubChem CID 11875143) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methoxy-2-[(R)-(4-methoxyphenyl)methylsulfinyl]ethanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methoxy-2-[(R)-(4-methoxyphenyl)methylsulfinyl]ethanimine
PubChem CID11875143
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC Name1-(4-chlorophenyl)-N-methoxy-2-[(R)-(4-methoxyphenyl)methylsulfinyl]ethanimine
SMILESCON=C(C[S@](=O)Cc1ccc(OC)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO3S/c1-21-16-9-3-13(4-10-16)11-23(20)12-17(19-22-2)14-5-7-15(18)8-6-14/h3-10H,11-12H2,1-2H3/t23-/m1/s1
InChIKeyRCMXYUDOJZCSBP-HSZRJFAPSA-N
XLogP3.65
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-chlorophenyl)-N-methoxy-2-(4-methoxyphenyl)sulfinylethanimine
CID 6375107
1-(ethylsulfinylmethyl)-4-methoxybenzene
CID 11074368
(E)-N-methoxy-1-(4-methoxyphenyl)-2-phenylethanimine
CID 21473328
4-[[2-(4-chlorophenyl)-2-oxoethyl]sulfinylmethyl]benzoic acid
CID 123106983
[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate
CID 6279155
4-[(4-chlorophenyl)methylsulfinylmethyl]benzoic acid
CID 114790855
4-chloro-N-[(4-methoxyphenyl)methyl]benzenecarbothioamide
CID 11022677
1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
CID 60650580
3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid
CID 60982858
(2R)-2-amino-3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid
CID 131858350
methyl 2-[1-(4-chlorophenyl)propylideneamino]oxyacetate
CID 88788827
(E)-N-methoxy-1-(4-methoxyphenyl)pent-4-en-1-imine
CID 46944422

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methoxy-2-[(R)-(4-methoxyphenyl)methylsulfinyl]ethanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-methoxy-2-[(R)-(4-methoxyphenyl)methylsulfinyl]ethanimine (CID 11875143) is 1-(4-chlorophenyl)-N-methoxy-2-[(R)-(4-methoxyphenyl)methylsulfinyl]ethanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methoxy-2-[(R)-(4-methoxyphenyl)methylsulfinyl]ethanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methoxy-2-[(R)-(4-methoxyphenyl)methylsulfinyl]ethanimine is CON=C(C[S@](=O)Cc1ccc(OC)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methoxy-2-[(R)-(4-methoxyphenyl)methylsulfinyl]ethanimine?
The InChIKey is RCMXYUDOJZCSBP-HSZRJFAPSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-21-16-9-3-13(4-10-16)11-23(20)12-17(19-22-2)14-5-7-15(18)8-6-14/h3-10H,11-12H2,1-2H3/t23-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-N-methoxy-2-[(R)-(4-methoxyphenyl)methylsulfinyl]ethanimine?
1-(4-chlorophenyl)-N-methoxy-2-[(R)-(4-methoxyphenyl)methylsulfinyl]ethanimine has a molecular weight of 351.86 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methoxy-2-[(R)-(4-methoxyphenyl)methylsulfinyl]ethanimine is sourced from PubChem (CID 11875143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).