4-[(2E)-2-[(4-imidazol-1-ylphenyl)methylidene]hydrazinyl]benzenesulfonamide

C16H15N5O2S — CID 46567082

IUPAC4-[(2E)-2-[(4-imidazol-1-ylphenyl)methylidene]hydrazinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N/N=C/c2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C16H15N5O2S/c17-24(22,23)16-7-3-14(4-8-16)20-19-11-13-1-5-15(6-2-13)21-10-9-18-12-21/h1-12,20H,(H2,17,22,23)/b19-11+
InChIKeyRCOKSZOVFQRUAW-YBFXNURJSA-N
MW341.40 g/mol
LogP1.97
Rot. Bonds5

About 4-[(2E)-2-[(4-imidazol-1-ylphenyl)methylidene]hydrazinyl]benzenesulfonamide

4-[(2E)-2-[(4-imidazol-1-ylphenyl)methylidene]hydrazinyl]benzenesulfonamide (PubChem CID 46567082) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 4-[(2E)-2-[(4-imidazol-1-ylphenyl)methylidene]hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2E)-2-[(4-imidazol-1-ylphenyl)methylidene]hydrazinyl]benzenesulfonamide
PubChem CID46567082
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name4-[(2E)-2-[(4-imidazol-1-ylphenyl)methylidene]hydrazinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N/N=C/c2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C16H15N5O2S/c17-24(22,23)16-7-3-14(4-8-16)20-19-11-13-1-5-15(6-2-13)21-10-9-18-12-21/h1-12,20H,(H2,17,22,23)/b19-11+
InChIKeyRCOKSZOVFQRUAW-YBFXNURJSA-N
XLogP1.97
TPSA102.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(2E)-2-[(4-imidazol-1-ylphenyl)methylidene]hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[(2E)-2-[(4-imidazol-1-ylphenyl)methylidene]hydrazinyl]benzenesulfonamide (CID 46567082) is 4-[(2E)-2-[(4-imidazol-1-ylphenyl)methylidene]hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2E)-2-[(4-imidazol-1-ylphenyl)methylidene]hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[(2E)-2-[(4-imidazol-1-ylphenyl)methylidene]hydrazinyl]benzenesulfonamide is NS(=O)(=O)c1ccc(N/N=C/c2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of 4-[(2E)-2-[(4-imidazol-1-ylphenyl)methylidene]hydrazinyl]benzenesulfonamide?
The InChIKey is RCOKSZOVFQRUAW-YBFXNURJSA-N. The full InChI is InChI=1S/C16H15N5O2S/c17-24(22,23)16-7-3-14(4-8-16)20-19-11-13-1-5-15(6-2-13)21-10-9-18-12-21/h1-12,20H,(H2,17,22,23)/b19-11+.
What are the key properties of 4-[(2E)-2-[(4-imidazol-1-ylphenyl)methylidene]hydrazinyl]benzenesulfonamide?
4-[(2E)-2-[(4-imidazol-1-ylphenyl)methylidene]hydrazinyl]benzenesulfonamide has a molecular weight of 341.40 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-[(4-imidazol-1-ylphenyl)methylidene]hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 46567082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).