(NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfinamide

C15H15NO2S — CID 177454051

IUPAC(NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfinamide
SMILESCOc1cccc(/C=N/S(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C15H15NO2S/c1-12-6-8-15(9-7-12)19(17)16-11-13-4-3-5-14(10-13)18-2/h3-11H,1-2H3/b16-11+
InChIKeyZHJZOBNXABZNON-LFIBNONCSA-N
MW273.36 g/mol
LogP3.15
Rot. Bonds4

About (NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfinamide

(NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfinamide (PubChem CID 177454051) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is (NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfinamide.

Molecular Properties

Compound Name(NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfinamide
PubChem CID177454051
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name(NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfinamide
SMILESCOc1cccc(/C=N/S(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C15H15NO2S/c1-12-6-8-15(9-7-12)19(17)16-11-13-4-3-5-14(10-13)18-2/h3-11H,1-2H3/b16-11+
InChIKeyZHJZOBNXABZNON-LFIBNONCSA-N
XLogP3.15
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.15
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

(NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide
CID 11558334
(R)-2-methyl-N-[[3-(4-methylphenoxy)phenyl]methylidene]propane-2-sulfinamide
CID 135366756
(NE,R)-4-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methylidene]benzenesulfinamide
CID 135366783
[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449
(NE,R)-2-methyl-N-[[3-(3-methylphenoxy)phenyl]methylidene]propane-2-sulfinamide
CID 135367476
1-(3-methoxyphenyl)-N-propan-2-ylmethanimine
CID 23423541
1-(3-methoxyphenyl)-N-[2-[(3-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 932000
N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine
CID 110339403
N-[(3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 689442
N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892732
N-(3-methoxyphenyl)-1-(3-methylphenyl)methanimine
CID 86728778
N-(3,5-dichlorophenyl)-1-(3-methoxyphenyl)methanimine
CID 932077

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfinamide?
The IUPAC name of (NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfinamide (CID 177454051) is (NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfinamide.
What is the SMILES notation for (NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfinamide?
The canonical SMILES for (NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfinamide is COc1cccc(/C=N/S(=O)c2ccc(C)cc2)c1.
What is the InChIKey of (NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfinamide?
The InChIKey is ZHJZOBNXABZNON-LFIBNONCSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-12-6-8-15(9-7-12)19(17)16-11-13-4-3-5-14(10-13)18-2/h3-11H,1-2H3/b16-11+.
What are the key properties of (NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfinamide?
(NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfinamide has a molecular weight of 273.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfinamide is sourced from PubChem (CID 177454051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).