N'-(benzenesulfonyl)-2-fluoro-5-pyrazol-1-ylbenzohydrazide

C16H13FN4O3S — CID 135298776

IUPACN'-(benzenesulfonyl)-2-fluoro-5-pyrazol-1-ylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cc(-n2cccn2)ccc1F
InChIInChI=1S/C16H13FN4O3S/c17-15-8-7-12(21-10-4-9-18-21)11-14(15)16(22)19-20-25(23,24)13-5-2-1-3-6-13/h1-11,20H,(H,19,22)
InChIKeyAICYUBWQQSZYQW-UHFFFAOYSA-N
MW360.37 g/mol
LogP1.63
Rot. Bonds5

About N'-(benzenesulfonyl)-2-fluoro-5-pyrazol-1-ylbenzohydrazide

N'-(benzenesulfonyl)-2-fluoro-5-pyrazol-1-ylbenzohydrazide (PubChem CID 135298776) has the molecular formula C16H13FN4O3S and a molecular weight of 360.37 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2-fluoro-5-pyrazol-1-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2-fluoro-5-pyrazol-1-ylbenzohydrazide
PubChem CID135298776
Molecular FormulaC16H13FN4O3S
Molecular Weight360.37 g/mol
Exact Mass360.07
IUPAC NameN'-(benzenesulfonyl)-2-fluoro-5-pyrazol-1-ylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cc(-n2cccn2)ccc1F
InChIInChI=1S/C16H13FN4O3S/c17-15-8-7-12(21-10-4-9-18-21)11-14(15)16(22)19-20-25(23,24)13-5-2-1-3-6-13/h1-11,20H,(H,19,22)
InChIKeyAICYUBWQQSZYQW-UHFFFAOYSA-N
XLogP1.63
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-pyrazol-1-ylbenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-2-fluoro-5-pyrazol-1-ylbenzohydrazide (CID 135298776) is N'-(benzenesulfonyl)-2-fluoro-5-pyrazol-1-ylbenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-2-fluoro-5-pyrazol-1-ylbenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-2-fluoro-5-pyrazol-1-ylbenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1cc(-n2cccn2)ccc1F.
What is the InChIKey of N'-(benzenesulfonyl)-2-fluoro-5-pyrazol-1-ylbenzohydrazide?
The InChIKey is AICYUBWQQSZYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3S/c17-15-8-7-12(21-10-4-9-18-21)11-14(15)16(22)19-20-25(23,24)13-5-2-1-3-6-13/h1-11,20H,(H,19,22).
What are the key properties of N'-(benzenesulfonyl)-2-fluoro-5-pyrazol-1-ylbenzohydrazide?
N'-(benzenesulfonyl)-2-fluoro-5-pyrazol-1-ylbenzohydrazide has a molecular weight of 360.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-2-fluoro-5-pyrazol-1-ylbenzohydrazide is sourced from PubChem (CID 135298776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).