N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide

C18H12ClIN2O3S — CID 74017319

IUPACN-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide
SMILESO=C(NN=Cc1ccc(Sc2ccc(Cl)cc2)o1)c1ccc(I)c(O)c1
InChIInChI=1S/C18H12ClIN2O3S/c19-12-2-5-14(6-3-12)26-17-8-4-13(25-17)10-21-22-18(24)11-1-7-15(20)16(23)9-11/h1-10,23H,(H,22,24)
InChIKeyYTDPDUUJJNYVBT-UHFFFAOYSA-N
MW498.73 g/mol
LogP5.16
Rot. Bonds5

About N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide

N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide (PubChem CID 74017319) has the molecular formula C18H12ClIN2O3S and a molecular weight of 498.73 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide
PubChem CID74017319
Molecular FormulaC18H12ClIN2O3S
Molecular Weight498.73 g/mol
Exact Mass497.93
IUPAC NameN-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide
SMILESO=C(NN=Cc1ccc(Sc2ccc(Cl)cc2)o1)c1ccc(I)c(O)c1
InChIInChI=1S/C18H12ClIN2O3S/c19-12-2-5-14(6-3-12)26-17-8-4-13(25-17)10-21-22-18(24)11-1-7-15(20)16(23)9-11/h1-10,23H,(H,22,24)
InChIKeyYTDPDUUJJNYVBT-UHFFFAOYSA-N
XLogP5.16
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.73
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
CID 3797622
4-chloro-N-[(Z)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
CID 126196378
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide
CID 126192668
N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide
CID 126003956
N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2-iodophenoxy)acetamide
CID 126194323
N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 94845215
N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 126193694
4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6870894
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-morpholin-4-ylacetamide
CID 126193221
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide
CID 40988830
N-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-chlorobenzamide
CID 3760972
4-chloro-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]benzamide
CID 126197594

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide?
The IUPAC name of N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide (CID 74017319) is N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide is O=C(NN=Cc1ccc(Sc2ccc(Cl)cc2)o1)c1ccc(I)c(O)c1.
What is the InChIKey of N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide?
The InChIKey is YTDPDUUJJNYVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClIN2O3S/c19-12-2-5-14(6-3-12)26-17-8-4-13(25-17)10-21-22-18(24)11-1-7-15(20)16(23)9-11/h1-10,23H,(H,22,24).
What are the key properties of N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide?
N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide has a molecular weight of 498.73 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide is sourced from PubChem (CID 74017319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).