4-fluoro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide

C13H12FN3O2S — CID 25237590

IUPAC4-fluoro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C13H12FN3O2S/c1-10(11-6-8-15-9-7-11)16-17-20(18,19)13-4-2-12(14)3-5-13/h2-9,17H,1H3/b16-10-
InChIKeyNUZWTPCGGQAMOH-YBEGLDIGSA-N
MW293.32 g/mol
LogP1.92
Rot. Bonds4

About 4-fluoro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide

4-fluoro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide (PubChem CID 25237590) has the molecular formula C13H12FN3O2S and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-fluoro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide
PubChem CID25237590
Molecular FormulaC13H12FN3O2S
Molecular Weight293.32 g/mol
Exact Mass293.06
IUPAC Name4-fluoro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C13H12FN3O2S/c1-10(11-6-8-15-9-7-11)16-17-20(18,19)13-4-2-12(14)3-5-13/h2-9,17H,1H3/b16-10-
InChIKeyNUZWTPCGGQAMOH-YBEGLDIGSA-N
XLogP1.92
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-fluoro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide (CID 25237590) is 4-fluoro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide is C/C(=N/NS(=O)(=O)c1ccc(F)cc1)c1ccncc1.
What is the InChIKey of 4-fluoro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide?
The InChIKey is NUZWTPCGGQAMOH-YBEGLDIGSA-N. The full InChI is InChI=1S/C13H12FN3O2S/c1-10(11-6-8-15-9-7-11)16-17-20(18,19)13-4-2-12(14)3-5-13/h2-9,17H,1H3/b16-10-.
What are the key properties of 4-fluoro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide?
4-fluoro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide has a molecular weight of 293.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide is sourced from PubChem (CID 25237590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).