N'-(benzenesulfonyl)-2-fluoro-5-pyridin-2-ylbenzohydrazide

C18H14FN3O3S — CID 135298621

IUPACN'-(benzenesulfonyl)-2-fluoro-5-pyridin-2-ylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cc(-c2ccccn2)ccc1F
InChIInChI=1S/C18H14FN3O3S/c19-16-10-9-13(17-8-4-5-11-20-17)12-15(16)18(23)21-22-26(24,25)14-6-2-1-3-7-14/h1-12,22H,(H,21,23)
InChIKeyQAMFWPQHAVTOFD-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.51
Rot. Bonds5

About N'-(benzenesulfonyl)-2-fluoro-5-pyridin-2-ylbenzohydrazide

N'-(benzenesulfonyl)-2-fluoro-5-pyridin-2-ylbenzohydrazide (PubChem CID 135298621) has the molecular formula C18H14FN3O3S and a molecular weight of 371.39 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2-fluoro-5-pyridin-2-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2-fluoro-5-pyridin-2-ylbenzohydrazide
PubChem CID135298621
Molecular FormulaC18H14FN3O3S
Molecular Weight371.39 g/mol
Exact Mass371.07
IUPAC NameN'-(benzenesulfonyl)-2-fluoro-5-pyridin-2-ylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cc(-c2ccccn2)ccc1F
InChIInChI=1S/C18H14FN3O3S/c19-16-10-9-13(17-8-4-5-11-20-17)12-15(16)18(23)21-22-26(24,25)14-6-2-1-3-7-14/h1-12,22H,(H,21,23)
InChIKeyQAMFWPQHAVTOFD-UHFFFAOYSA-N
XLogP2.51
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-(benzenesulfonyl)-2-fluoro-5-pyridin-2-ylbenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-2-fluoro-5-pyridin-2-ylbenzohydrazide (CID 135298621) is N'-(benzenesulfonyl)-2-fluoro-5-pyridin-2-ylbenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-2-fluoro-5-pyridin-2-ylbenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-2-fluoro-5-pyridin-2-ylbenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1cc(-c2ccccn2)ccc1F.
What is the InChIKey of N'-(benzenesulfonyl)-2-fluoro-5-pyridin-2-ylbenzohydrazide?
The InChIKey is QAMFWPQHAVTOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3S/c19-16-10-9-13(17-8-4-5-11-20-17)12-15(16)18(23)21-22-26(24,25)14-6-2-1-3-7-14/h1-12,22H,(H,21,23).
What are the key properties of N'-(benzenesulfonyl)-2-fluoro-5-pyridin-2-ylbenzohydrazide?
N'-(benzenesulfonyl)-2-fluoro-5-pyridin-2-ylbenzohydrazide has a molecular weight of 371.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-2-fluoro-5-pyridin-2-ylbenzohydrazide is sourced from PubChem (CID 135298621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).