N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonyl-4-[(E)-2-phenylethenyl]benzenecarboximidamide

C23H19N3O4S — CID 88763345

IUPACN'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonyl-4-[(E)-2-phenylethenyl]benzenecarboximidamide
SMILESN/C(=N\S(=O)(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C23H19N3O4S/c24-23(21-12-8-19(9-13-21)7-6-18-4-2-1-3-5-18)25-31(29,30)17-16-20-10-14-22(15-11-20)26(27)28/h1-17H,(H2,24,25)/b7-6+,17-16+
InChIKeyABTJHHKBMLALMT-QQIRETTESA-N
MW433.49 g/mol
LogP4.47
Rot. Bonds7

About N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonyl-4-[(E)-2-phenylethenyl]benzenecarboximidamide

N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonyl-4-[(E)-2-phenylethenyl]benzenecarboximidamide (PubChem CID 88763345) has the molecular formula C23H19N3O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonyl-4-[(E)-2-phenylethenyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonyl-4-[(E)-2-phenylethenyl]benzenecarboximidamide
PubChem CID88763345
Molecular FormulaC23H19N3O4S
Molecular Weight433.49 g/mol
Exact Mass433.11
IUPAC NameN'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonyl-4-[(E)-2-phenylethenyl]benzenecarboximidamide
SMILESN/C(=N\S(=O)(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C23H19N3O4S/c24-23(21-12-8-19(9-13-21)7-6-18-4-2-1-3-5-18)25-31(29,30)17-16-20-10-14-22(15-11-20)26(27)28/h1-17H,(H2,24,25)/b7-6+,17-16+
InChIKeyABTJHHKBMLALMT-QQIRETTESA-N
XLogP4.47
TPSA115.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide
CID 23469557
N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonyl-4-[(1E)-1-phenylbuta-1,3-dienyl]benzenecarboximidamide
CID 173437378
3-amino-N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide
CID 70567375
N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
CID 13000099
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]benzene
CID 122387900
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene
CID 122387898
4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
CID 23469562
1-nitro-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
CID 6258529
N'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide
CID 70171064
4-amino-N'-[2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
CID 54412379
(4-nitrophenyl)methyl 4-[(E)-2-phenylethenyl]benzoate
CID 50888339
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonyl-4-[(E)-2-phenylethenyl]benzenecarboximidamide?
The IUPAC name of N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonyl-4-[(E)-2-phenylethenyl]benzenecarboximidamide (CID 88763345) is N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonyl-4-[(E)-2-phenylethenyl]benzenecarboximidamide.
What is the SMILES notation for N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonyl-4-[(E)-2-phenylethenyl]benzenecarboximidamide?
The canonical SMILES for N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonyl-4-[(E)-2-phenylethenyl]benzenecarboximidamide is N/C(=N\S(=O)(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonyl-4-[(E)-2-phenylethenyl]benzenecarboximidamide?
The InChIKey is ABTJHHKBMLALMT-QQIRETTESA-N. The full InChI is InChI=1S/C23H19N3O4S/c24-23(21-12-8-19(9-13-21)7-6-18-4-2-1-3-5-18)25-31(29,30)17-16-20-10-14-22(15-11-20)26(27)28/h1-17H,(H2,24,25)/b7-6+,17-16+.
What are the key properties of N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonyl-4-[(E)-2-phenylethenyl]benzenecarboximidamide?
N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonyl-4-[(E)-2-phenylethenyl]benzenecarboximidamide has a molecular weight of 433.49 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonyl-4-[(E)-2-phenylethenyl]benzenecarboximidamide is sourced from PubChem (CID 88763345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).