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

C11H12Cl2N2O2S — CID 23469531

IUPACN-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonyl-N'-methylethanimidamide
SMILESC/N=C(\C)NS(=O)(=O)/C=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2N2O2S/c1-8(14-2)15-18(16,17)6-5-9-3-4-10(12)11(13)7-9/h3-7H,1-2H3,(H,14,15)/b6-5+
InChIKeyCXWSCCAIOQGBOX-AATRIKPKSA-N
MW307.20 g/mol
LogP2.93
Rot. Bonds3

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

N-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonyl-N'-methylethanimidamide (PubChem CID 23469531) has the molecular formula C11H12Cl2N2O2S and a molecular weight of 307.20 g/mol. Its IUPAC name is N-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonyl-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonyl-N'-methylethanimidamide
PubChem CID23469531
Molecular FormulaC11H12Cl2N2O2S
Molecular Weight307.20 g/mol
Exact Mass306.00
IUPAC NameN-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonyl-N'-methylethanimidamide
SMILESC/N=C(\C)NS(=O)(=O)/C=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2N2O2S/c1-8(14-2)15-18(16,17)6-5-9-3-4-10(12)11(13)7-9/h3-7H,1-2H3,(H,14,15)/b6-5+
InChIKeyCXWSCCAIOQGBOX-AATRIKPKSA-N
XLogP2.93
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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]sulfonyl-N'-methylethanimidamide?
The IUPAC name of N-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonyl-N'-methylethanimidamide (CID 23469531) is N-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonyl-N'-methylethanimidamide.
What is the SMILES notation for N-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonyl-N'-methylethanimidamide?
The canonical SMILES for N-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonyl-N'-methylethanimidamide is C/N=C(\C)NS(=O)(=O)/C=C/c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonyl-N'-methylethanimidamide?
The InChIKey is CXWSCCAIOQGBOX-AATRIKPKSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2S/c1-8(14-2)15-18(16,17)6-5-9-3-4-10(12)11(13)7-9/h3-7H,1-2H3,(H,14,15)/b6-5+.
What are the key properties of N-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonyl-N'-methylethanimidamide?
N-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonyl-N'-methylethanimidamide has a molecular weight of 307.20 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonyl-N'-methylethanimidamide is sourced from PubChem (CID 23469531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).