2-fluoro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide

C14H10F4N2O4S — CID 8523928

IUPAC2-fluoro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1F
InChIInChI=1S/C14H10F4N2O4S/c15-12-4-2-1-3-11(12)13(21)19-20-25(22,23)10-7-5-9(6-8-10)24-14(16,17)18/h1-8,20H,(H,19,21)
InChIKeyXGABJQBFGMHASD-UHFFFAOYSA-N
MW378.30 g/mol
LogP2.35
Rot. Bonds5

About 2-fluoro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide

2-fluoro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide (PubChem CID 8523928) has the molecular formula C14H10F4N2O4S and a molecular weight of 378.30 g/mol. Its IUPAC name is 2-fluoro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
PubChem CID8523928
Molecular FormulaC14H10F4N2O4S
Molecular Weight378.30 g/mol
Exact Mass378.03
IUPAC Name2-fluoro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1F
InChIInChI=1S/C14H10F4N2O4S/c15-12-4-2-1-3-11(12)13(21)19-20-25(22,23)10-7-5-9(6-8-10)24-14(16,17)18/h1-8,20H,(H,19,21)
InChIKeyXGABJQBFGMHASD-UHFFFAOYSA-N
XLogP2.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide with MolForge

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

Launch Full Analysis

Related Compounds

3-chloro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
CID 8616640
N'-[(6-chloro-3-pyridinyl)sulfonyl]-2-fluorobenzohydrazide
CID 4729927
2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide
CID 8523938
2-(2-methylphenoxy)-N'-[4-(trifluoromethoxy)phenyl]sulfonylacetohydrazide
CID 8505935
2-fluoro-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
CID 8523929
N'-(benzenesulfonyl)-5-ethenoxy-2-fluorobenzohydrazide
CID 155926751
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-fluorobenzohydrazide
CID 8523930
2-fluoro-N-[3-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propyl]benzamide
CID 47987463
N-tert-butyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 17154391
2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718082
2,2,2-trifluoro-N-[4-[[(2-methylbenzoyl)amino]sulfamoyl]phenyl]acetamide
CID 55878321
2-methyl-N'-[3-(trifluoromethoxy)phenyl]sulfonylfuran-3-carbohydrazide
CID 24662232

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide?
The IUPAC name of 2-fluoro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide (CID 8523928) is 2-fluoro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide.
What is the SMILES notation for 2-fluoro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide?
The canonical SMILES for 2-fluoro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide is O=C(NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide?
The InChIKey is XGABJQBFGMHASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N2O4S/c15-12-4-2-1-3-11(12)13(21)19-20-25(22,23)10-7-5-9(6-8-10)24-14(16,17)18/h1-8,20H,(H,19,21).
What are the key properties of 2-fluoro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide?
2-fluoro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide has a molecular weight of 378.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide is sourced from PubChem (CID 8523928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).