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

C16H13FN4O3S — CID 135298595

IUPACN'-(2-fluorophenyl)sulfonyl-3-pyrazol-1-ylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1cccc(-n2cccn2)c1
InChIInChI=1S/C16H13FN4O3S/c17-14-7-1-2-8-15(14)25(23,24)20-19-16(22)12-5-3-6-13(11-12)21-10-4-9-18-21/h1-11,20H,(H,19,22)
InChIKeyRTAIDSNRSGJQHT-UHFFFAOYSA-N
MW360.37 g/mol
LogP1.63
Rot. Bonds5

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

N'-(2-fluorophenyl)sulfonyl-3-pyrazol-1-ylbenzohydrazide (PubChem CID 135298595) has the molecular formula C16H13FN4O3S and a molecular weight of 360.37 g/mol. Its IUPAC name is N'-(2-fluorophenyl)sulfonyl-3-pyrazol-1-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)sulfonyl-3-pyrazol-1-ylbenzohydrazide
PubChem CID135298595
Molecular FormulaC16H13FN4O3S
Molecular Weight360.37 g/mol
Exact Mass360.07
IUPAC NameN'-(2-fluorophenyl)sulfonyl-3-pyrazol-1-ylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1cccc(-n2cccn2)c1
InChIInChI=1S/C16H13FN4O3S/c17-14-7-1-2-8-15(14)25(23,24)20-19-16(22)12-5-3-6-13(11-12)21-10-4-9-18-21/h1-11,20H,(H,19,22)
InChIKeyRTAIDSNRSGJQHT-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'-(2-fluorophenyl)sulfonyl-3-pyrazol-1-ylbenzohydrazide?
The IUPAC name of N'-(2-fluorophenyl)sulfonyl-3-pyrazol-1-ylbenzohydrazide (CID 135298595) is N'-(2-fluorophenyl)sulfonyl-3-pyrazol-1-ylbenzohydrazide.
What is the SMILES notation for N'-(2-fluorophenyl)sulfonyl-3-pyrazol-1-ylbenzohydrazide?
The canonical SMILES for N'-(2-fluorophenyl)sulfonyl-3-pyrazol-1-ylbenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1F)c1cccc(-n2cccn2)c1.
What is the InChIKey of N'-(2-fluorophenyl)sulfonyl-3-pyrazol-1-ylbenzohydrazide?
The InChIKey is RTAIDSNRSGJQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3S/c17-14-7-1-2-8-15(14)25(23,24)20-19-16(22)12-5-3-6-13(11-12)21-10-4-9-18-21/h1-11,20H,(H,19,22).
What are the key properties of N'-(2-fluorophenyl)sulfonyl-3-pyrazol-1-ylbenzohydrazide?
N'-(2-fluorophenyl)sulfonyl-3-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'-(2-fluorophenyl)sulfonyl-3-pyrazol-1-ylbenzohydrazide is sourced from PubChem (CID 135298595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).