N'-[(E)-2-(2,6-dichlorophenyl)ethenyl]sulfonylbenzenecarboximidamide

C15H12Cl2N2O2S — CID 23469535

IUPACN'-[(E)-2-(2,6-dichlorophenyl)ethenyl]sulfonylbenzenecarboximidamide
SMILESN/C(=N/S(=O)(=O)/C=C/c1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C15H12Cl2N2O2S/c16-13-7-4-8-14(17)12(13)9-10-22(20,21)19-15(18)11-5-2-1-3-6-11/h1-10H,(H2,18,19)/b10-9+
InChIKeyXKOXBVJIDGKFJO-MDZDMXLPSA-N
MW355.25 g/mol
LogP3.70
Rot. Bonds4

About N'-[(E)-2-(2,6-dichlorophenyl)ethenyl]sulfonylbenzenecarboximidamide

N'-[(E)-2-(2,6-dichlorophenyl)ethenyl]sulfonylbenzenecarboximidamide (PubChem CID 23469535) has the molecular formula C15H12Cl2N2O2S and a molecular weight of 355.25 g/mol. Its IUPAC name is N'-[(E)-2-(2,6-dichlorophenyl)ethenyl]sulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(E)-2-(2,6-dichlorophenyl)ethenyl]sulfonylbenzenecarboximidamide
PubChem CID23469535
Molecular FormulaC15H12Cl2N2O2S
Molecular Weight355.25 g/mol
Exact Mass354.00
IUPAC NameN'-[(E)-2-(2,6-dichlorophenyl)ethenyl]sulfonylbenzenecarboximidamide
SMILESN/C(=N/S(=O)(=O)/C=C/c1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C15H12Cl2N2O2S/c16-13-7-4-8-14(17)12(13)9-10-22(20,21)19-15(18)11-5-2-1-3-6-11/h1-10H,(H2,18,19)/b10-9+
InChIKeyXKOXBVJIDGKFJO-MDZDMXLPSA-N
XLogP3.70
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 53.70
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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Related Compounds

N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide
CID 23469557
N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide
CID 555502
N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonyl-4-[(1E)-1-phenylbuta-1,3-dienyl]benzenecarboximidamide
CID 173437378
N-(diaminomethylidene)-3-(2,6-dichlorophenyl)prop-2-enamide;N-(diaminomethylidene)-3-phenylprop-2-enamide
CID 174544055
N'-aminobenzenecarboximidamide
CID 5474957
N'-(3-chloro-2-fluorophenyl)benzenecarboximidamide
CID 63178462
[amino(phenyl)methylidene]carbamic acid
CID 54409873
N'-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]benzohydrazide
CID 9414855
N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopropanecarboximidamide
CID 23469632
N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethanimidamide
CID 23469620
N'-(2-chloroanilino)benzenecarboximidamide
CID 134068294
1,3-dichloro-2-[(E)-2-fluoro-2-phenylethenyl]benzene
CID 175008181

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-(2,6-dichlorophenyl)ethenyl]sulfonylbenzenecarboximidamide?
The IUPAC name of N'-[(E)-2-(2,6-dichlorophenyl)ethenyl]sulfonylbenzenecarboximidamide (CID 23469535) is N'-[(E)-2-(2,6-dichlorophenyl)ethenyl]sulfonylbenzenecarboximidamide.
What is the SMILES notation for N'-[(E)-2-(2,6-dichlorophenyl)ethenyl]sulfonylbenzenecarboximidamide?
The canonical SMILES for N'-[(E)-2-(2,6-dichlorophenyl)ethenyl]sulfonylbenzenecarboximidamide is N/C(=N/S(=O)(=O)/C=C/c1c(Cl)cccc1Cl)c1ccccc1.
What is the InChIKey of N'-[(E)-2-(2,6-dichlorophenyl)ethenyl]sulfonylbenzenecarboximidamide?
The InChIKey is XKOXBVJIDGKFJO-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2S/c16-13-7-4-8-14(17)12(13)9-10-22(20,21)19-15(18)11-5-2-1-3-6-11/h1-10H,(H2,18,19)/b10-9+.
What are the key properties of N'-[(E)-2-(2,6-dichlorophenyl)ethenyl]sulfonylbenzenecarboximidamide?
N'-[(E)-2-(2,6-dichlorophenyl)ethenyl]sulfonylbenzenecarboximidamide has a molecular weight of 355.25 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-(2,6-dichlorophenyl)ethenyl]sulfonylbenzenecarboximidamide is sourced from PubChem (CID 23469535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).