N-(2-iodophenyl)-N-[(E)-2-phenylethenyl]sulfonylacetamide

C16H14INO3S — CID 10884437

IUPACN-(2-iodophenyl)-N-[(E)-2-phenylethenyl]sulfonylacetamide
SMILESCC(=O)N(c1ccccc1I)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H14INO3S/c1-13(19)18(16-10-6-5-9-15(16)17)22(20,21)12-11-14-7-3-2-4-8-14/h2-12H,1H3/b12-11+
InChIKeyZPMIEVGJYAOYNT-VAWYXSNFSA-N
MW427.26 g/mol
LogP3.64
Rot. Bonds4

About N-(2-iodophenyl)-N-[(E)-2-phenylethenyl]sulfonylacetamide

N-(2-iodophenyl)-N-[(E)-2-phenylethenyl]sulfonylacetamide (PubChem CID 10884437) has the molecular formula C16H14INO3S and a molecular weight of 427.26 g/mol. Its IUPAC name is N-(2-iodophenyl)-N-[(E)-2-phenylethenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-N-[(E)-2-phenylethenyl]sulfonylacetamide
PubChem CID10884437
Molecular FormulaC16H14INO3S
Molecular Weight427.26 g/mol
Exact Mass426.97
IUPAC NameN-(2-iodophenyl)-N-[(E)-2-phenylethenyl]sulfonylacetamide
SMILESCC(=O)N(c1ccccc1I)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H14INO3S/c1-13(19)18(16-10-6-5-9-15(16)17)22(20,21)12-11-14-7-3-2-4-8-14/h2-12H,1H3/b12-11+
InChIKeyZPMIEVGJYAOYNT-VAWYXSNFSA-N
XLogP3.64
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.26
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-N-[(E)-2-phenylethenyl]sulfonylacetamide?
The IUPAC name of N-(2-iodophenyl)-N-[(E)-2-phenylethenyl]sulfonylacetamide (CID 10884437) is N-(2-iodophenyl)-N-[(E)-2-phenylethenyl]sulfonylacetamide.
What is the SMILES notation for N-(2-iodophenyl)-N-[(E)-2-phenylethenyl]sulfonylacetamide?
The canonical SMILES for N-(2-iodophenyl)-N-[(E)-2-phenylethenyl]sulfonylacetamide is CC(=O)N(c1ccccc1I)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of N-(2-iodophenyl)-N-[(E)-2-phenylethenyl]sulfonylacetamide?
The InChIKey is ZPMIEVGJYAOYNT-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H14INO3S/c1-13(19)18(16-10-6-5-9-15(16)17)22(20,21)12-11-14-7-3-2-4-8-14/h2-12H,1H3/b12-11+.
What are the key properties of N-(2-iodophenyl)-N-[(E)-2-phenylethenyl]sulfonylacetamide?
N-(2-iodophenyl)-N-[(E)-2-phenylethenyl]sulfonylacetamide has a molecular weight of 427.26 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-N-[(E)-2-phenylethenyl]sulfonylacetamide is sourced from PubChem (CID 10884437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).