3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(4-methylpyrazol-1-yl)benzohydrazide

C17H14F2N4O3S — CID 135298783

IUPAC3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(4-methylpyrazol-1-yl)benzohydrazide
SMILESCc1cnn(-c2cc(F)cc(C(=O)NNS(=O)(=O)c3ccccc3F)c2)c1
InChIInChI=1S/C17H14F2N4O3S/c1-11-9-20-23(10-11)14-7-12(6-13(18)8-14)17(24)21-22-27(25,26)16-5-3-2-4-15(16)19/h2-10,22H,1H3,(H,21,24)
InChIKeyKOLBMXZYRGTUOX-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.08
Rot. Bonds5

About 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(4-methylpyrazol-1-yl)benzohydrazide

3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(4-methylpyrazol-1-yl)benzohydrazide (PubChem CID 135298783) has the molecular formula C17H14F2N4O3S and a molecular weight of 392.39 g/mol. Its IUPAC name is 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(4-methylpyrazol-1-yl)benzohydrazide.

Molecular Properties

Compound Name3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(4-methylpyrazol-1-yl)benzohydrazide
PubChem CID135298783
Molecular FormulaC17H14F2N4O3S
Molecular Weight392.39 g/mol
Exact Mass392.08
IUPAC Name3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(4-methylpyrazol-1-yl)benzohydrazide
SMILESCc1cnn(-c2cc(F)cc(C(=O)NNS(=O)(=O)c3ccccc3F)c2)c1
InChIInChI=1S/C17H14F2N4O3S/c1-11-9-20-23(10-11)14-7-12(6-13(18)8-14)17(24)21-22-27(25,26)16-5-3-2-4-15(16)19/h2-10,22H,1H3,(H,21,24)
InChIKeyKOLBMXZYRGTUOX-UHFFFAOYSA-N
XLogP2.08
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.08
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 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(4-methylpyrazol-1-yl)benzohydrazide?
The IUPAC name of 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(4-methylpyrazol-1-yl)benzohydrazide (CID 135298783) is 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(4-methylpyrazol-1-yl)benzohydrazide.
What is the SMILES notation for 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(4-methylpyrazol-1-yl)benzohydrazide?
The canonical SMILES for 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(4-methylpyrazol-1-yl)benzohydrazide is Cc1cnn(-c2cc(F)cc(C(=O)NNS(=O)(=O)c3ccccc3F)c2)c1.
What is the InChIKey of 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(4-methylpyrazol-1-yl)benzohydrazide?
The InChIKey is KOLBMXZYRGTUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O3S/c1-11-9-20-23(10-11)14-7-12(6-13(18)8-14)17(24)21-22-27(25,26)16-5-3-2-4-15(16)19/h2-10,22H,1H3,(H,21,24).
What are the key properties of 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(4-methylpyrazol-1-yl)benzohydrazide?
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(4-methylpyrazol-1-yl)benzohydrazide has a molecular weight of 392.39 g/mol, XLogP of 2.08, 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-(4-methylpyrazol-1-yl)benzohydrazide is sourced from PubChem (CID 135298783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).