4-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzenesulfonamide

C13H14N4O2S — CID 7340528

IUPAC4-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzenesulfonamide
SMILESC/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1ccccn1
InChIInChI=1S/C13H14N4O2S/c1-10(13-4-2-3-9-15-13)16-17-11-5-7-12(8-6-11)20(14,18)19/h2-9,17H,1H3,(H2,14,18,19)/b16-10+
InChIKeyNPFVCFSMBOSGJS-MHWRWJLKSA-N
MW290.35 g/mol
LogP1.57
Rot. Bonds4

About 4-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzenesulfonamide

4-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzenesulfonamide (PubChem CID 7340528) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 4-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzenesulfonamide
PubChem CID7340528
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name4-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzenesulfonamide
SMILESC/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1ccccn1
InChIInChI=1S/C13H14N4O2S/c1-10(13-4-2-3-9-15-13)16-17-11-5-7-12(8-6-11)20(14,18)19/h2-9,17H,1H3,(H2,14,18,19)/b16-10+
InChIKeyNPFVCFSMBOSGJS-MHWRWJLKSA-N
XLogP1.57
TPSA97.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1-pyridin-2-ylethylidene)hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzenesulfonamide (CID 7340528) is 4-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzenesulfonamide is C/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1ccccn1.
What is the InChIKey of 4-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzenesulfonamide?
The InChIKey is NPFVCFSMBOSGJS-MHWRWJLKSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-10(13-4-2-3-9-15-13)16-17-11-5-7-12(8-6-11)20(14,18)19/h2-9,17H,1H3,(H2,14,18,19)/b16-10+.
What are the key properties of 4-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzenesulfonamide?
4-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzenesulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 7340528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).