2-(4-chlorophenyl)sulfanyl-N-[(2-hydroxy-5-iodophenyl)methylideneamino]acetamide

C15H12ClIN2O2S — CID 4220712

IUPAC2-(4-chlorophenyl)sulfanyl-N-[(2-hydroxy-5-iodophenyl)methylideneamino]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)NN=Cc1cc(I)ccc1O
InChIInChI=1S/C15H12ClIN2O2S/c16-11-1-4-13(5-2-11)22-9-15(21)19-18-8-10-7-12(17)3-6-14(10)20/h1-8,20H,9H2,(H,19,21)
InChIKeyQNVKUINKDVQOMY-UHFFFAOYSA-N
MW446.70 g/mol
LogP3.89
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-[(2-hydroxy-5-iodophenyl)methylideneamino]acetamide

2-(4-chlorophenyl)sulfanyl-N-[(2-hydroxy-5-iodophenyl)methylideneamino]acetamide (PubChem CID 4220712) has the molecular formula C15H12ClIN2O2S and a molecular weight of 446.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(2-hydroxy-5-iodophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[(2-hydroxy-5-iodophenyl)methylideneamino]acetamide
PubChem CID4220712
Molecular FormulaC15H12ClIN2O2S
Molecular Weight446.70 g/mol
Exact Mass445.94
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[(2-hydroxy-5-iodophenyl)methylideneamino]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)NN=Cc1cc(I)ccc1O
InChIInChI=1S/C15H12ClIN2O2S/c16-11-1-4-13(5-2-11)22-9-15(21)19-18-8-10-7-12(17)3-6-14(10)20/h1-8,20H,9H2,(H,19,21)
InChIKeyQNVKUINKDVQOMY-UHFFFAOYSA-N
XLogP3.89
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.70
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]acetamide
CID 126217149
2-(4-chlorophenyl)sulfanyl-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 1153906
2-(4-bromophenyl)-N-[(E)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 135579434
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 9121577
N-(2-chloro-4-iodophenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 2294415
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 126215637
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 135435561
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide
CID 9121575
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 135781976
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]acetamide
CID 126225088
2-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methylideneamino]acetamide
CID 689942
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide
CID 135716269

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(2-hydroxy-5-iodophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(2-hydroxy-5-iodophenyl)methylideneamino]acetamide (CID 4220712) is 2-(4-chlorophenyl)sulfanyl-N-[(2-hydroxy-5-iodophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(2-hydroxy-5-iodophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(2-hydroxy-5-iodophenyl)methylideneamino]acetamide is O=C(CSc1ccc(Cl)cc1)NN=Cc1cc(I)ccc1O.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(2-hydroxy-5-iodophenyl)methylideneamino]acetamide?
The InChIKey is QNVKUINKDVQOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClIN2O2S/c16-11-1-4-13(5-2-11)22-9-15(21)19-18-8-10-7-12(17)3-6-14(10)20/h1-8,20H,9H2,(H,19,21).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(2-hydroxy-5-iodophenyl)methylideneamino]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[(2-hydroxy-5-iodophenyl)methylideneamino]acetamide has a molecular weight of 446.70 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[(2-hydroxy-5-iodophenyl)methylideneamino]acetamide is sourced from PubChem (CID 4220712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).