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

C13H14Cl2N2O2S — CID 23469548

IUPACN'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclobutanecarboximidamide
SMILESN/C(=N/S(=O)(=O)/C=C/c1ccc(Cl)c(Cl)c1)C1CCC1
InChIInChI=1S/C13H14Cl2N2O2S/c14-11-5-4-9(8-12(11)15)6-7-20(18,19)17-13(16)10-2-1-3-10/h4-8,10H,1-3H2,(H2,16,17)/b7-6+
InChIKeyGZVWRTCNOYTOEX-VOTSOKGWSA-N
MW333.24 g/mol
LogP3.45
Rot. Bonds4

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

N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclobutanecarboximidamide (PubChem CID 23469548) has the molecular formula C13H14Cl2N2O2S and a molecular weight of 333.24 g/mol. Its IUPAC name is N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclobutanecarboximidamide.

Molecular Properties

Compound NameN'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclobutanecarboximidamide
PubChem CID23469548
Molecular FormulaC13H14Cl2N2O2S
Molecular Weight333.24 g/mol
Exact Mass332.02
IUPAC NameN'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclobutanecarboximidamide
SMILESN/C(=N/S(=O)(=O)/C=C/c1ccc(Cl)c(Cl)c1)C1CCC1
InChIInChI=1S/C13H14Cl2N2O2S/c14-11-5-4-9(8-12(11)15)6-7-20(18,19)17-13(16)10-2-1-3-10/h4-8,10H,1-3H2,(H2,16,17)/b7-6+
InChIKeyGZVWRTCNOYTOEX-VOTSOKGWSA-N
XLogP3.45
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.24
LogP ≤ 53.45
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]sulfonylcyclobutanecarboximidamide?
The IUPAC name of N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclobutanecarboximidamide (CID 23469548) is N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclobutanecarboximidamide.
What is the SMILES notation for N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclobutanecarboximidamide?
The canonical SMILES for N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclobutanecarboximidamide is N/C(=N/S(=O)(=O)/C=C/c1ccc(Cl)c(Cl)c1)C1CCC1.
What is the InChIKey of N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclobutanecarboximidamide?
The InChIKey is GZVWRTCNOYTOEX-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2S/c14-11-5-4-9(8-12(11)15)6-7-20(18,19)17-13(16)10-2-1-3-10/h4-8,10H,1-3H2,(H2,16,17)/b7-6+.
What are the key properties of N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclobutanecarboximidamide?
N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclobutanecarboximidamide has a molecular weight of 333.24 g/mol, XLogP of 3.45, 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]sulfonylcyclobutanecarboximidamide is sourced from PubChem (CID 23469548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).