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

C15H14N4O4S — CID 70567375

IUPAC3-amino-N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide
SMILESNC(=NS(=O)(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1cccc(N)c1
InChIInChI=1S/C15H14N4O4S/c16-13-3-1-2-12(10-13)15(17)18-24(22,23)9-8-11-4-6-14(7-5-11)19(20)21/h1-10H,16H2,(H2,17,18)/b9-8+
InChIKeyKEPVCCCQNXNUAU-CMDGGOBGSA-N
MW346.37 g/mol
LogP1.88
Rot. Bonds5

About 3-amino-N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide

3-amino-N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide (PubChem CID 70567375) has the molecular formula C15H14N4O4S and a molecular weight of 346.37 g/mol. Its IUPAC name is 3-amino-N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide.

Molecular Properties

Compound Name3-amino-N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide
PubChem CID70567375
Molecular FormulaC15H14N4O4S
Molecular Weight346.37 g/mol
Exact Mass346.07
IUPAC Name3-amino-N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide
SMILESNC(=NS(=O)(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1cccc(N)c1
InChIInChI=1S/C15H14N4O4S/c16-13-3-1-2-12(10-13)15(17)18-24(22,23)9-8-11-4-6-14(7-5-11)19(20)21/h1-10H,16H2,(H2,17,18)/b9-8+
InChIKeyKEPVCCCQNXNUAU-CMDGGOBGSA-N
XLogP1.88
TPSA141.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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]sulfonylbenzenecarboximidamide
CID 23469557
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
N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
CID 13000099
4-amino-N'-[2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
CID 54412379
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 5376981
4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
CID 23469562
N'-amino-3-nitrobenzenecarboximidamide;hydrochloride
CID 87664105
1-nitro-4-[2-[2-(4-nitrophenyl)ethenylsulfonylmethylsulfonyl]ethenyl]benzene
CID 72826289
N'-[(E)-2-(2,6-dichlorophenyl)ethenyl]sulfonylbenzenecarboximidamide
CID 23469535
3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline
CID 92527304
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]benzene
CID 122387900

Frequently Asked Questions

What is the IUPAC name of 3-amino-N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide?
The IUPAC name of 3-amino-N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide (CID 70567375) is 3-amino-N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide.
What is the SMILES notation for 3-amino-N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide?
The canonical SMILES for 3-amino-N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide is NC(=NS(=O)(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1cccc(N)c1.
What is the InChIKey of 3-amino-N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide?
The InChIKey is KEPVCCCQNXNUAU-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H14N4O4S/c16-13-3-1-2-12(10-13)15(17)18-24(22,23)9-8-11-4-6-14(7-5-11)19(20)21/h1-10H,16H2,(H2,17,18)/b9-8+.
What are the key properties of 3-amino-N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide?
3-amino-N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide has a molecular weight of 346.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide is sourced from PubChem (CID 70567375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).