N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrazol-1-ylbenzohydrazide

C17H15FN4O3S — CID 135298636

IUPACN'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrazol-1-ylbenzohydrazide
SMILESCc1cc(-n2cccn2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C17H15FN4O3S/c1-12-10-13(22-9-5-8-19-22)11-15(16(12)18)17(23)20-21-26(24,25)14-6-3-2-4-7-14/h2-11,21H,1H3,(H,20,23)
InChIKeyHKELVRVKFVSBKX-UHFFFAOYSA-N
MW374.40 g/mol
LogP1.94
Rot. Bonds5

About N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrazol-1-ylbenzohydrazide

N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrazol-1-ylbenzohydrazide (PubChem CID 135298636) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrazol-1-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrazol-1-ylbenzohydrazide
PubChem CID135298636
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC NameN'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrazol-1-ylbenzohydrazide
SMILESCc1cc(-n2cccn2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C17H15FN4O3S/c1-12-10-13(22-9-5-8-19-22)11-15(16(12)18)17(23)20-21-26(24,25)14-6-3-2-4-7-14/h2-11,21H,1H3,(H,20,23)
InChIKeyHKELVRVKFVSBKX-UHFFFAOYSA-N
XLogP1.94
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrazol-1-ylbenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrazol-1-ylbenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrazol-1-ylbenzohydrazide (CID 135298636) is N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrazol-1-ylbenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrazol-1-ylbenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrazol-1-ylbenzohydrazide is Cc1cc(-n2cccn2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F.
What is the InChIKey of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrazol-1-ylbenzohydrazide?
The InChIKey is HKELVRVKFVSBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c1-12-10-13(22-9-5-8-19-22)11-15(16(12)18)17(23)20-21-26(24,25)14-6-3-2-4-7-14/h2-11,21H,1H3,(H,20,23).
What are the key properties of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrazol-1-ylbenzohydrazide?
N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrazol-1-ylbenzohydrazide has a molecular weight of 374.40 g/mol, XLogP of 1.94, 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-3-methyl-5-pyrazol-1-ylbenzohydrazide is sourced from PubChem (CID 135298636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).