N'-(4-fluorophenyl)sulfonylbenzohydrazide

C13H11FN2O3S — CID 809426

IUPACN'-(4-fluorophenyl)sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C13H11FN2O3S/c14-11-6-8-12(9-7-11)20(18,19)16-15-13(17)10-4-2-1-3-5-10/h1-9,16H,(H,15,17)
InChIKeyRXJCSZJKUPLFIC-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.45
Rot. Bonds4

About N'-(4-fluorophenyl)sulfonylbenzohydrazide

N'-(4-fluorophenyl)sulfonylbenzohydrazide (PubChem CID 809426) has the molecular formula C13H11FN2O3S and a molecular weight of 294.31 g/mol. Its IUPAC name is N'-(4-fluorophenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)sulfonylbenzohydrazide
PubChem CID809426
Molecular FormulaC13H11FN2O3S
Molecular Weight294.31 g/mol
Exact Mass294.05
IUPAC NameN'-(4-fluorophenyl)sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C13H11FN2O3S/c14-11-6-8-12(9-7-11)20(18,19)16-15-13(17)10-4-2-1-3-5-10/h1-9,16H,(H,15,17)
InChIKeyRXJCSZJKUPLFIC-UHFFFAOYSA-N
XLogP1.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)sulfonylbenzohydrazide?
The IUPAC name of N'-(4-fluorophenyl)sulfonylbenzohydrazide (CID 809426) is N'-(4-fluorophenyl)sulfonylbenzohydrazide.
What is the SMILES notation for N'-(4-fluorophenyl)sulfonylbenzohydrazide?
The canonical SMILES for N'-(4-fluorophenyl)sulfonylbenzohydrazide is O=C(NNS(=O)(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N'-(4-fluorophenyl)sulfonylbenzohydrazide?
The InChIKey is RXJCSZJKUPLFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3S/c14-11-6-8-12(9-7-11)20(18,19)16-15-13(17)10-4-2-1-3-5-10/h1-9,16H,(H,15,17).
What are the key properties of N'-(4-fluorophenyl)sulfonylbenzohydrazide?
N'-(4-fluorophenyl)sulfonylbenzohydrazide has a molecular weight of 294.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 809426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).