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

C14H16Cl2N2O2S — CID 70566852

IUPACN'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopentanecarboximidamide
SMILESNC(=NS(=O)(=O)/C=C/c1ccc(Cl)c(Cl)c1)C1CCCC1
InChIInChI=1S/C14H16Cl2N2O2S/c15-12-6-5-10(9-13(12)16)7-8-21(19,20)18-14(17)11-3-1-2-4-11/h5-9,11H,1-4H2,(H2,17,18)/b8-7+
InChIKeyCZSRGRQVFAVYBW-BQYQJAHWSA-N
MW347.27 g/mol
LogP3.84
Rot. Bonds4

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

N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopentanecarboximidamide (PubChem CID 70566852) has the molecular formula C14H16Cl2N2O2S and a molecular weight of 347.27 g/mol. Its IUPAC name is N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopentanecarboximidamide
PubChem CID70566852
Molecular FormulaC14H16Cl2N2O2S
Molecular Weight347.27 g/mol
Exact Mass346.03
IUPAC NameN'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopentanecarboximidamide
SMILESNC(=NS(=O)(=O)/C=C/c1ccc(Cl)c(Cl)c1)C1CCCC1
InChIInChI=1S/C14H16Cl2N2O2S/c15-12-6-5-10(9-13(12)16)7-8-21(19,20)18-14(17)11-3-1-2-4-11/h5-9,11H,1-4H2,(H2,17,18)/b8-7+
InChIKeyCZSRGRQVFAVYBW-BQYQJAHWSA-N
XLogP3.84
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.27
LogP ≤ 53.84
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]sulfonylcyclopentanecarboximidamide?
The IUPAC name of N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopentanecarboximidamide (CID 70566852) is N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopentanecarboximidamide.
What is the SMILES notation for N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopentanecarboximidamide?
The canonical SMILES for N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopentanecarboximidamide is NC(=NS(=O)(=O)/C=C/c1ccc(Cl)c(Cl)c1)C1CCCC1.
What is the InChIKey of N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopentanecarboximidamide?
The InChIKey is CZSRGRQVFAVYBW-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2S/c15-12-6-5-10(9-13(12)16)7-8-21(19,20)18-14(17)11-3-1-2-4-11/h5-9,11H,1-4H2,(H2,17,18)/b8-7+.
What are the key properties of N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopentanecarboximidamide?
N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopentanecarboximidamide has a molecular weight of 347.27 g/mol, XLogP of 3.84, 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]sulfonylcyclopentanecarboximidamide is sourced from PubChem (CID 70566852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).