N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-4-methylbenzenesulfonamide

C₁₄H₁₃N₃O₅S — CID 135783691

About N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-4-methylbenzenesulfonamide

N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 135783691) has the molecular formula C₁₄H₁₃N₃O₅S and a molecular weight of 335.34 g/mol. Its IUPAC name is N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-4-methylbenzenesulfonamide
• PubChem CID: 135783691
• Molecular Formula: C₁₄H₁₃N₃O₅S
• Molecular Weight: 335.34 g/mol
• Exact Mass: 335.06
• IUPAC Name: N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-4-methylbenzenesulfonamide
• SMILES: Cc1ccc(S(=O)(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)cc1
• InChI: InChI=1S/C14H13N3O5S/c1-10-2-5-12(6-3-10)23(21,22)16-15-9-11-4-7-14(18)13(8-11)17(19)20/h2-9,16,18H,1H3/b15-9-
• InChIKey: ULWWBGXLVQEIDO-DHDCSXOGSA-N
• XLogP: 1.92
• TPSA: 121.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.34
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-4-methylbenzenesulfonamide?

The IUPAC name of N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-4-methylbenzenesulfonamide (CID 135783691) is N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-4-methylbenzenesulfonamide.

What is the SMILES notation for N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-4-methylbenzenesulfonamide?

The canonical SMILES for N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)cc1.

What is the InChIKey of N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-4-methylbenzenesulfonamide?

The InChIKey is ULWWBGXLVQEIDO-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H13N3O5S/c1-10-2-5-12(6-3-10)23(21,22)16-15-9-11-4-7-14(18)13(8-11)17(19)20/h2-9,16,18H,1H3/b15-9-.

What are the key properties of N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-4-methylbenzenesulfonamide?

N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 335.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 135783691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135783691 — identifiers, structure, computed properties (public domain)

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