3-nitro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide

C13H12N4O4S — CID 25237438

IUPAC3-nitro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1
InChIInChI=1S/C13H12N4O4S/c1-10(11-5-7-14-8-6-11)15-16-22(20,21)13-4-2-3-12(9-13)17(18)19/h2-9,16H,1H3/b15-10-
InChIKeyGBZPILLFOYTKFV-GDNBJRDFSA-N
MW320.33 g/mol
LogP1.69
Rot. Bonds5

About 3-nitro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide

3-nitro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide (PubChem CID 25237438) has the molecular formula C13H12N4O4S and a molecular weight of 320.33 g/mol. Its IUPAC name is 3-nitro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name3-nitro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide
PubChem CID25237438
Molecular FormulaC13H12N4O4S
Molecular Weight320.33 g/mol
Exact Mass320.06
IUPAC Name3-nitro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1
InChIInChI=1S/C13H12N4O4S/c1-10(11-5-7-14-8-6-11)15-16-22(20,21)13-4-2-3-12(9-13)17(18)19/h2-9,16H,1H3/b15-10-
InChIKeyGBZPILLFOYTKFV-GDNBJRDFSA-N
XLogP1.69
TPSA114.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide?
The IUPAC name of 3-nitro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide (CID 25237438) is 3-nitro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide.
What is the SMILES notation for 3-nitro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide?
The canonical SMILES for 3-nitro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide is C/C(=N/NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1.
What is the InChIKey of 3-nitro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide?
The InChIKey is GBZPILLFOYTKFV-GDNBJRDFSA-N. The full InChI is InChI=1S/C13H12N4O4S/c1-10(11-5-7-14-8-6-11)15-16-22(20,21)13-4-2-3-12(9-13)17(18)19/h2-9,16H,1H3/b15-10-.
What are the key properties of 3-nitro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide?
3-nitro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide has a molecular weight of 320.33 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide is sourced from PubChem (CID 25237438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).