N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide

C15H13N3O4S — CID 23469557

IUPACN'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide
SMILESN/C(=N/S(=O)(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C15H13N3O4S/c16-15(13-4-2-1-3-5-13)17-23(21,22)11-10-12-6-8-14(9-7-12)18(19)20/h1-11H,(H2,16,17)/b11-10+
InChIKeyNEHXUXOKTMUEBO-ZHACJKMWSA-N
MW331.35 g/mol
LogP2.30
Rot. Bonds5

About N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide

N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide (PubChem CID 23469557) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide
PubChem CID23469557
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC NameN'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide
SMILESN/C(=N/S(=O)(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C15H13N3O4S/c16-15(13-4-2-1-3-5-13)17-23(21,22)11-10-12-6-8-14(9-7-12)18(19)20/h1-11H,(H2,16,17)/b11-10+
InChIKeyNEHXUXOKTMUEBO-ZHACJKMWSA-N
XLogP2.30
TPSA115.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.30
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'}

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Related Compounds

N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonyl-4-[(E)-2-phenylethenyl]benzenecarboximidamide
CID 88763345
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
N'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide
CID 70171064
N'-[(E)-2-(2,6-dichlorophenyl)ethenyl]sulfonylbenzenecarboximidamide
CID 23469535
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
(E)-2-(4-nitrophenyl)-N-phenylethenesulfonamide
CID 6263676
benzamide;4-nitrobenzenesulfonic acid
CID 131869489

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide?
The IUPAC name of N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide (CID 23469557) is N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide.
What is the SMILES notation for N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide?
The canonical SMILES for N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide is N/C(=N/S(=O)(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide?
The InChIKey is NEHXUXOKTMUEBO-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H13N3O4S/c16-15(13-4-2-1-3-5-13)17-23(21,22)11-10-12-6-8-14(9-7-12)18(19)20/h1-11H,(H2,16,17)/b11-10+.
What are the key properties of N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide?
N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide has a molecular weight of 331.35 g/mol, XLogP of 2.30, 5 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]sulfonylbenzenecarboximidamide is sourced from PubChem (CID 23469557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).