3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide

C18H12Cl2N2O2S — CID 3797622

IUPAC3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(Sc2ccc(Cl)cc2)o1)c1cccc(Cl)c1
InChIInChI=1S/C18H12Cl2N2O2S/c19-13-4-7-16(8-5-13)25-17-9-6-15(24-17)11-21-22-18(23)12-2-1-3-14(20)10-12/h1-11H,(H,22,23)
InChIKeyWAUWWBJDYUELJN-UHFFFAOYSA-N
MW391.28 g/mol
LogP5.50
Rot. Bonds5

About 3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide

3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide (PubChem CID 3797622) has the molecular formula C18H12Cl2N2O2S and a molecular weight of 391.28 g/mol. Its IUPAC name is 3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
PubChem CID3797622
Molecular FormulaC18H12Cl2N2O2S
Molecular Weight391.28 g/mol
Exact Mass390.00
IUPAC Name3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(Sc2ccc(Cl)cc2)o1)c1cccc(Cl)c1
InChIInChI=1S/C18H12Cl2N2O2S/c19-13-4-7-16(8-5-13)25-17-9-6-15(24-17)11-21-22-18(23)12-2-1-3-14(20)10-12/h1-11H,(H,22,23)
InChIKeyWAUWWBJDYUELJN-UHFFFAOYSA-N
XLogP5.50
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.28
LogP ≤ 55.50
H-Bond Donors ≤ 51
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

4-chloro-N-[(Z)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
CID 126196378
N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide
CID 74017319
N-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-chlorobenzamide
CID 3760972
N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 94845215
3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5404639
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide
CID 126192668
3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 721907
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2-iodophenoxy)acetamide
CID 126194323
N-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide
CID 3521596
3-chloro-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide
CID 126021065
N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-methoxybenzamide
CID 126110640

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide (CID 3797622) is 3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide is O=C(NN=Cc1ccc(Sc2ccc(Cl)cc2)o1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide?
The InChIKey is WAUWWBJDYUELJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O2S/c19-13-4-7-16(8-5-13)25-17-9-6-15(24-17)11-21-22-18(23)12-2-1-3-14(20)10-12/h1-11H,(H,22,23).
What are the key properties of 3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide?
3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide has a molecular weight of 391.28 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 3797622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).