N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopropanecarboximidamide

C12H12Cl2N2O2S — CID 23469632

IUPACN'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopropanecarboximidamide
SMILESN/C(=N/S(=O)(=O)/C=C/c1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C12H12Cl2N2O2S/c13-10-4-1-8(7-11(10)14)5-6-19(17,18)16-12(15)9-2-3-9/h1,4-7,9H,2-3H2,(H2,15,16)/b6-5+
InChIKeyRQZZYKJKICVGMA-AATRIKPKSA-N
MW319.21 g/mol
LogP3.06
Rot. Bonds4

About N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopropanecarboximidamide

N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopropanecarboximidamide (PubChem CID 23469632) has the molecular formula C12H12Cl2N2O2S and a molecular weight of 319.21 g/mol. Its IUPAC name is N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopropanecarboximidamide
PubChem CID23469632
Molecular FormulaC12H12Cl2N2O2S
Molecular Weight319.21 g/mol
Exact Mass318.00
IUPAC NameN'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopropanecarboximidamide
SMILESN/C(=N/S(=O)(=O)/C=C/c1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C12H12Cl2N2O2S/c13-10-4-1-8(7-11(10)14)5-6-19(17,18)16-12(15)9-2-3-9/h1,4-7,9H,2-3H2,(H2,15,16)/b6-5+
InChIKeyRQZZYKJKICVGMA-AATRIKPKSA-N
XLogP3.06
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 53.06
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-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopropanecarboximidamide?
The IUPAC name of N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopropanecarboximidamide (CID 23469632) is N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopropanecarboximidamide.
What is the SMILES notation for N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopropanecarboximidamide?
The canonical SMILES for N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopropanecarboximidamide is N/C(=N/S(=O)(=O)/C=C/c1ccc(Cl)c(Cl)c1)C1CC1.
What is the InChIKey of N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopropanecarboximidamide?
The InChIKey is RQZZYKJKICVGMA-AATRIKPKSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2S/c13-10-4-1-8(7-11(10)14)5-6-19(17,18)16-12(15)9-2-3-9/h1,4-7,9H,2-3H2,(H2,15,16)/b6-5+.
What are the key properties of N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopropanecarboximidamide?
N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopropanecarboximidamide has a molecular weight of 319.21 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopropanecarboximidamide is sourced from PubChem (CID 23469632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).