N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide

C13H11N3O4S — CID 5340754

IUPACN-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C13H11N3O4S/c17-16(18)12-8-6-11(7-9-12)10-14-15-21(19,20)13-4-2-1-3-5-13/h1-10,15H/b14-10+
InChIKeyUWKNTTUNLKIASF-GXDHUFHOSA-N
MW305.31 g/mol
LogP1.91
Rot. Bonds5

About N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide

N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide (PubChem CID 5340754) has the molecular formula C13H11N3O4S and a molecular weight of 305.31 g/mol. Its IUPAC name is N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide
PubChem CID5340754
Molecular FormulaC13H11N3O4S
Molecular Weight305.31 g/mol
Exact Mass305.05
IUPAC NameN-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C13H11N3O4S/c17-16(18)12-8-6-11(7-9-12)10-14-15-21(19,20)13-4-2-1-3-5-13/h1-10,15H/b14-10+
InChIKeyUWKNTTUNLKIASF-GXDHUFHOSA-N
XLogP1.91
TPSA101.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide (CID 5340754) is N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide is O=[N+]([O-])c1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide?
The InChIKey is UWKNTTUNLKIASF-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H11N3O4S/c17-16(18)12-8-6-11(7-9-12)10-14-15-21(19,20)13-4-2-1-3-5-13/h1-10,15H/b14-10+.
What are the key properties of N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide?
N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide has a molecular weight of 305.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 5340754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).