N'-(benzenesulfonyl)-3-pyrazol-1-ylbenzohydrazide

C16H14N4O3S — CID 135298591

IUPACN'-(benzenesulfonyl)-3-pyrazol-1-ylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C16H14N4O3S/c21-16(18-19-24(22,23)15-8-2-1-3-9-15)13-6-4-7-14(12-13)20-11-5-10-17-20/h1-12,19H,(H,18,21)
InChIKeyDCWFWGVVBKRGHL-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.50
Rot. Bonds5

About N'-(benzenesulfonyl)-3-pyrazol-1-ylbenzohydrazide

N'-(benzenesulfonyl)-3-pyrazol-1-ylbenzohydrazide (PubChem CID 135298591) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-3-pyrazol-1-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-3-pyrazol-1-ylbenzohydrazide
PubChem CID135298591
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC NameN'-(benzenesulfonyl)-3-pyrazol-1-ylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C16H14N4O3S/c21-16(18-19-24(22,23)15-8-2-1-3-9-15)13-6-4-7-14(12-13)20-11-5-10-17-20/h1-12,19H,(H,18,21)
InChIKeyDCWFWGVVBKRGHL-UHFFFAOYSA-N
XLogP1.50
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.50
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)-3-pyrazol-1-ylbenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-3-pyrazol-1-ylbenzohydrazide (CID 135298591) is N'-(benzenesulfonyl)-3-pyrazol-1-ylbenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-3-pyrazol-1-ylbenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-3-pyrazol-1-ylbenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-n2cccn2)c1.
What is the InChIKey of N'-(benzenesulfonyl)-3-pyrazol-1-ylbenzohydrazide?
The InChIKey is DCWFWGVVBKRGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c21-16(18-19-24(22,23)15-8-2-1-3-9-15)13-6-4-7-14(12-13)20-11-5-10-17-20/h1-12,19H,(H,18,21).
What are the key properties of N'-(benzenesulfonyl)-3-pyrazol-1-ylbenzohydrazide?
N'-(benzenesulfonyl)-3-pyrazol-1-ylbenzohydrazide has a molecular weight of 342.38 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-3-pyrazol-1-ylbenzohydrazide is sourced from PubChem (CID 135298591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).