4-fluoro-N'-(2-propan-2-ylsulfonylacetyl)benzohydrazide

C12H15FN2O4S — CID 78904355

IUPAC4-fluoro-N'-(2-propan-2-ylsulfonylacetyl)benzohydrazide
SMILESCC(C)S(=O)(=O)CC(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O4S/c1-8(2)20(18,19)7-11(16)14-15-12(17)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyJHTHONAQXDEXAV-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.41
Rot. Bonds4

About 4-fluoro-N'-(2-propan-2-ylsulfonylacetyl)benzohydrazide

4-fluoro-N'-(2-propan-2-ylsulfonylacetyl)benzohydrazide (PubChem CID 78904355) has the molecular formula C12H15FN2O4S and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-fluoro-N'-(2-propan-2-ylsulfonylacetyl)benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-(2-propan-2-ylsulfonylacetyl)benzohydrazide
PubChem CID78904355
Molecular FormulaC12H15FN2O4S
Molecular Weight302.33 g/mol
Exact Mass302.07
IUPAC Name4-fluoro-N'-(2-propan-2-ylsulfonylacetyl)benzohydrazide
SMILESCC(C)S(=O)(=O)CC(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O4S/c1-8(2)20(18,19)7-11(16)14-15-12(17)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyJHTHONAQXDEXAV-UHFFFAOYSA-N
XLogP0.41
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-fluoro-N'-(2-propan-2-ylsulfonylacetyl)benzohydrazide 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 4-fluoro-N'-(2-propan-2-ylsulfonylacetyl)benzohydrazide?
The IUPAC name of 4-fluoro-N'-(2-propan-2-ylsulfonylacetyl)benzohydrazide (CID 78904355) is 4-fluoro-N'-(2-propan-2-ylsulfonylacetyl)benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-(2-propan-2-ylsulfonylacetyl)benzohydrazide?
The canonical SMILES for 4-fluoro-N'-(2-propan-2-ylsulfonylacetyl)benzohydrazide is CC(C)S(=O)(=O)CC(=O)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N'-(2-propan-2-ylsulfonylacetyl)benzohydrazide?
The InChIKey is JHTHONAQXDEXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4S/c1-8(2)20(18,19)7-11(16)14-15-12(17)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 4-fluoro-N'-(2-propan-2-ylsulfonylacetyl)benzohydrazide?
4-fluoro-N'-(2-propan-2-ylsulfonylacetyl)benzohydrazide has a molecular weight of 302.33 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-(2-propan-2-ylsulfonylacetyl)benzohydrazide is sourced from PubChem (CID 78904355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).