3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrazol-1-ylbenzohydrazide

C16H12F2N4O3S — CID 135298637

IUPAC3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrazol-1-ylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1cc(F)cc(-n2cccn2)c1
InChIInChI=1S/C16H12F2N4O3S/c17-12-8-11(9-13(10-12)22-7-3-6-19-22)16(23)20-21-26(24,25)15-5-2-1-4-14(15)18/h1-10,21H,(H,20,23)
InChIKeyQWXYCBJVEKGULU-UHFFFAOYSA-N
MW378.36 g/mol
LogP1.77
Rot. Bonds5

About 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrazol-1-ylbenzohydrazide

3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrazol-1-ylbenzohydrazide (PubChem CID 135298637) has the molecular formula C16H12F2N4O3S and a molecular weight of 378.36 g/mol. Its IUPAC name is 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrazol-1-ylbenzohydrazide.

Molecular Properties

Compound Name3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrazol-1-ylbenzohydrazide
PubChem CID135298637
Molecular FormulaC16H12F2N4O3S
Molecular Weight378.36 g/mol
Exact Mass378.06
IUPAC Name3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrazol-1-ylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1cc(F)cc(-n2cccn2)c1
InChIInChI=1S/C16H12F2N4O3S/c17-12-8-11(9-13(10-12)22-7-3-6-19-22)16(23)20-21-26(24,25)15-5-2-1-4-14(15)18/h1-10,21H,(H,20,23)
InChIKeyQWXYCBJVEKGULU-UHFFFAOYSA-N
XLogP1.77
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 51.77
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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Related Compounds

CID 135298636
CID 135298636
CID 57411990
CID 57411990
CID 57411991
CID 57411991
CID 124132137
CID 124132137
CID 135298536
CID 135298536
CID 135298537
CID 135298537
CID 135298542
CID 135298542
CID 135298544
CID 135298544
CID 135298545
CID 135298545
CID 135298547
CID 135298547
CID 135298564
CID 135298564
CID 135298571
CID 135298571

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrazol-1-ylbenzohydrazide?
The IUPAC name of 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrazol-1-ylbenzohydrazide (CID 135298637) is 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrazol-1-ylbenzohydrazide.
What is the SMILES notation for 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrazol-1-ylbenzohydrazide?
The canonical SMILES for 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrazol-1-ylbenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1F)c1cc(F)cc(-n2cccn2)c1.
What is the InChIKey of 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrazol-1-ylbenzohydrazide?
The InChIKey is QWXYCBJVEKGULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O3S/c17-12-8-11(9-13(10-12)22-7-3-6-19-22)16(23)20-21-26(24,25)15-5-2-1-4-14(15)18/h1-10,21H,(H,20,23).
What are the key properties of 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrazol-1-ylbenzohydrazide?
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrazol-1-ylbenzohydrazide has a molecular weight of 378.36 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrazol-1-ylbenzohydrazide is sourced from PubChem (CID 135298637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).