4-[(3-nitrophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide

C18H14N4O4S — CID 1041580

IUPAC4-[(3-nitrophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(/C=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1
InChIInChI=1S/C18H14N4O4S/c23-22(24)16-5-3-4-14(12-16)13-20-15-7-9-17(10-8-15)27(25,26)21-18-6-1-2-11-19-18/h1-13H,(H,19,21)/b20-13+
InChIKeyUAGJUILNOJVUKV-DEDYPNTBSA-N
MW382.40 g/mol
LogP3.54
Rot. Bonds6

About 4-[(3-nitrophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide

4-[(3-nitrophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 1041580) has the molecular formula C18H14N4O4S and a molecular weight of 382.40 g/mol. Its IUPAC name is 4-[(3-nitrophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3-nitrophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
PubChem CID1041580
Molecular FormulaC18H14N4O4S
Molecular Weight382.40 g/mol
Exact Mass382.07
IUPAC Name4-[(3-nitrophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(/C=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1
InChIInChI=1S/C18H14N4O4S/c23-22(24)16-5-3-4-14(12-16)13-20-15-7-9-17(10-8-15)27(25,26)21-18-6-1-2-11-19-18/h1-13H,(H,19,21)/b20-13+
InChIKeyUAGJUILNOJVUKV-DEDYPNTBSA-N
XLogP3.54
TPSA114.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.54
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 4-[(3-nitrophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(3-nitrophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide (CID 1041580) is 4-[(3-nitrophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(3-nitrophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(3-nitrophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide is O=[N+]([O-])c1cccc(/C=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1.
What is the InChIKey of 4-[(3-nitrophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is UAGJUILNOJVUKV-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H14N4O4S/c23-22(24)16-5-3-4-14(12-16)13-20-15-7-9-17(10-8-15)27(25,26)21-18-6-1-2-11-19-18/h1-13H,(H,19,21)/b20-13+.
What are the key properties of 4-[(3-nitrophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
4-[(3-nitrophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 382.40 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-nitrophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 1041580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).