(E)-1-(4-chlorophenyl)-N-methoxy-2-(4-methoxyphenyl)sulfinylethanimine

C16H16ClNO3S — CID 6375107

IUPAC(E)-1-(4-chlorophenyl)-N-methoxy-2-(4-methoxyphenyl)sulfinylethanimine
SMILESCO/N=C(/CS(=O)c1ccc(OC)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO3S/c1-20-14-7-9-15(10-8-14)22(19)11-16(18-21-2)12-3-5-13(17)6-4-12/h3-10H,11H2,1-2H3/b18-16-
InChIKeyDUYNFYDLMIOUNF-VLGSPTGOSA-N
MW337.83 g/mol
LogP3.51
Rot. Bonds6

About (E)-1-(4-chlorophenyl)-N-methoxy-2-(4-methoxyphenyl)sulfinylethanimine

(E)-1-(4-chlorophenyl)-N-methoxy-2-(4-methoxyphenyl)sulfinylethanimine (PubChem CID 6375107) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-N-methoxy-2-(4-methoxyphenyl)sulfinylethanimine.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-N-methoxy-2-(4-methoxyphenyl)sulfinylethanimine
PubChem CID6375107
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name(E)-1-(4-chlorophenyl)-N-methoxy-2-(4-methoxyphenyl)sulfinylethanimine
SMILESCO/N=C(/CS(=O)c1ccc(OC)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO3S/c1-20-14-7-9-15(10-8-14)22(19)11-16(18-21-2)12-3-5-13(17)6-4-12/h3-10H,11H2,1-2H3/b18-16-
InChIKeyDUYNFYDLMIOUNF-VLGSPTGOSA-N
XLogP3.51
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.51
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

1-(4-chlorophenyl)-N-methoxy-2-[(R)-(4-methoxyphenyl)methylsulfinyl]ethanimine
CID 11875143
(E)-N-methoxy-1-(4-methoxyphenyl)-2-phenylethanimine
CID 21473328
methyl 2-[1-(4-chlorophenyl)propylideneamino]oxyacetate
CID 88788827
1-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfinylethanone
CID 64635946
(E)-N-methoxy-1-(4-methoxyphenyl)pent-4-en-1-imine
CID 46944422
2-[(S)-(4-chlorophenyl)sulfinyl]acetic acid
CID 13092891
(4-chlorophenyl) 4-methoxybenzoate
CID 532395
(E)-1-(4-chlorophenyl)-4-(4-methoxyphenyl)but-2-ene-1,4-dione
CID 102100444
S-(4-chlorobenzoyl)sulfanyl 4-methoxybenzenecarbothioate
CID 12596573
1-methoxy-4-[3-(4-nitrophenyl)sulfinylprop-1-en-2-yl]benzene
CID 10757843
2-(4-chlorophenyl)sulfinyl-1-(4-hydroxy-3,5-dimethylphenyl)ethanone
CID 1483853
4-[(4-methoxyphenyl)sulfinylmethyl]benzoic acid
CID 60710231

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-N-methoxy-2-(4-methoxyphenyl)sulfinylethanimine?
The IUPAC name of (E)-1-(4-chlorophenyl)-N-methoxy-2-(4-methoxyphenyl)sulfinylethanimine (CID 6375107) is (E)-1-(4-chlorophenyl)-N-methoxy-2-(4-methoxyphenyl)sulfinylethanimine.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-N-methoxy-2-(4-methoxyphenyl)sulfinylethanimine?
The canonical SMILES for (E)-1-(4-chlorophenyl)-N-methoxy-2-(4-methoxyphenyl)sulfinylethanimine is CO/N=C(/CS(=O)c1ccc(OC)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-N-methoxy-2-(4-methoxyphenyl)sulfinylethanimine?
The InChIKey is DUYNFYDLMIOUNF-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-20-14-7-9-15(10-8-14)22(19)11-16(18-21-2)12-3-5-13(17)6-4-12/h3-10H,11H2,1-2H3/b18-16-.
What are the key properties of (E)-1-(4-chlorophenyl)-N-methoxy-2-(4-methoxyphenyl)sulfinylethanimine?
(E)-1-(4-chlorophenyl)-N-methoxy-2-(4-methoxyphenyl)sulfinylethanimine has a molecular weight of 337.83 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-N-methoxy-2-(4-methoxyphenyl)sulfinylethanimine is sourced from PubChem (CID 6375107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).