N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethanimidamide

C10H11ClN2O2S — CID 23469620

IUPACN'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethanimidamide
SMILESC/C(N)=N/S(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O2S/c1-8(12)13-16(14,15)7-6-9-2-4-10(11)5-3-9/h2-7H,1H3,(H2,12,13)/b7-6+
InChIKeyDWMXRQXURQVWNB-VOTSOKGWSA-N
MW258.73 g/mol
LogP2.02
Rot. Bonds3

About N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethanimidamide

N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethanimidamide (PubChem CID 23469620) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethanimidamide
PubChem CID23469620
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC NameN'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethanimidamide
SMILESC/C(N)=N/S(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O2S/c1-8(12)13-16(14,15)7-6-9-2-4-10(11)5-3-9/h2-7H,1H3,(H2,12,13)/b7-6+
InChIKeyDWMXRQXURQVWNB-VOTSOKGWSA-N
XLogP2.02
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethanimidamide?
The IUPAC name of N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethanimidamide (CID 23469620) is N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethanimidamide.
What is the SMILES notation for N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethanimidamide?
The canonical SMILES for N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethanimidamide is C/C(N)=N/S(=O)(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethanimidamide?
The InChIKey is DWMXRQXURQVWNB-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c1-8(12)13-16(14,15)7-6-9-2-4-10(11)5-3-9/h2-7H,1H3,(H2,12,13)/b7-6+.
What are the key properties of N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethanimidamide?
N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethanimidamide has a molecular weight of 258.73 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethanimidamide is sourced from PubChem (CID 23469620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).