N'-(benzenesulfonyl)-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide

C17H15FN4O3S — CID 135298544

IUPACN'-(benzenesulfonyl)-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2ccccc2)cc(-n2cc(F)cn2)c1
InChIInChI=1S/C17H15FN4O3S/c1-12-7-13(9-15(8-12)22-11-14(18)10-19-22)17(23)20-21-26(24,25)16-5-3-2-4-6-16/h2-11,21H,1H3,(H,20,23)
InChIKeyBUWCYMMYTIFAKZ-UHFFFAOYSA-N
MW374.40 g/mol
LogP1.94
Rot. Bonds5

About N'-(benzenesulfonyl)-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide

N'-(benzenesulfonyl)-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide (PubChem CID 135298544) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide
PubChem CID135298544
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC NameN'-(benzenesulfonyl)-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2ccccc2)cc(-n2cc(F)cn2)c1
InChIInChI=1S/C17H15FN4O3S/c1-12-7-13(9-15(8-12)22-11-14(18)10-19-22)17(23)20-21-26(24,25)16-5-3-2-4-6-16/h2-11,21H,1H3,(H,20,23)
InChIKeyBUWCYMMYTIFAKZ-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)-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide 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)-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide (CID 135298544) is N'-(benzenesulfonyl)-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide is Cc1cc(C(=O)NNS(=O)(=O)c2ccccc2)cc(-n2cc(F)cn2)c1.
What is the InChIKey of N'-(benzenesulfonyl)-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide?
The InChIKey is BUWCYMMYTIFAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c1-12-7-13(9-15(8-12)22-11-14(18)10-19-22)17(23)20-21-26(24,25)16-5-3-2-4-6-16/h2-11,21H,1H3,(H,20,23).
What are the key properties of N'-(benzenesulfonyl)-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide?
N'-(benzenesulfonyl)-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide 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)-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide is sourced from PubChem (CID 135298544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).