N'-[2-(trifluoromethyl)phenyl]sulfonylbenzohydrazide

C14H11F3N2O3S — CID 26966737

IUPACN'-[2-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H11F3N2O3S/c15-14(16,17)11-8-4-5-9-12(11)23(21,22)19-18-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,18,20)
InChIKeyRJUBEQINLMSMRC-UHFFFAOYSA-N
MW344.31 g/mol
LogP2.33
Rot. Bonds4

About N'-[2-(trifluoromethyl)phenyl]sulfonylbenzohydrazide

N'-[2-(trifluoromethyl)phenyl]sulfonylbenzohydrazide (PubChem CID 26966737) has the molecular formula C14H11F3N2O3S and a molecular weight of 344.31 g/mol. Its IUPAC name is N'-[2-(trifluoromethyl)phenyl]sulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
PubChem CID26966737
Molecular FormulaC14H11F3N2O3S
Molecular Weight344.31 g/mol
Exact Mass344.04
IUPAC NameN'-[2-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H11F3N2O3S/c15-14(16,17)11-8-4-5-9-12(11)23(21,22)19-18-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,18,20)
InChIKeyRJUBEQINLMSMRC-UHFFFAOYSA-N
XLogP2.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(trifluoromethyl)phenyl]sulfonylcyclopropanecarbohydrazide
CID 8523817
N'-(2-methoxyphenyl)sulfonylbenzohydrazide
CID 51170282
sodium N'-(benzenesulfonyl)benzohydrazide
CID 54612136
4-bromo-1-methyl-N'-[2-(trifluoromethyl)phenyl]sulfonylpyrrole-2-carbohydrazide
CID 17487267
3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 5088843
N-[(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 55935778
N-benzhydryl-2-(trifluoromethyl)benzenesulfonamide
CID 2568637
4-[[[4-(trifluoromethyl)benzoyl]amino]sulfamoyl]benzoic acid
CID 155949885
2-[[2-(trifluoromethyl)phenyl]sulfonylamino]oxyacetic acid
CID 60661367
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 10311292
N'-(2-chloro-4-methylphenyl)sulfonylbenzohydrazide
CID 32673196
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836

Frequently Asked Questions

What is the IUPAC name of N'-[2-(trifluoromethyl)phenyl]sulfonylbenzohydrazide?
The IUPAC name of N'-[2-(trifluoromethyl)phenyl]sulfonylbenzohydrazide (CID 26966737) is N'-[2-(trifluoromethyl)phenyl]sulfonylbenzohydrazide.
What is the SMILES notation for N'-[2-(trifluoromethyl)phenyl]sulfonylbenzohydrazide?
The canonical SMILES for N'-[2-(trifluoromethyl)phenyl]sulfonylbenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1.
What is the InChIKey of N'-[2-(trifluoromethyl)phenyl]sulfonylbenzohydrazide?
The InChIKey is RJUBEQINLMSMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O3S/c15-14(16,17)11-8-4-5-9-12(11)23(21,22)19-18-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,18,20).
What are the key properties of N'-[2-(trifluoromethyl)phenyl]sulfonylbenzohydrazide?
N'-[2-(trifluoromethyl)phenyl]sulfonylbenzohydrazide has a molecular weight of 344.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(trifluoromethyl)phenyl]sulfonylbenzohydrazide is sourced from PubChem (CID 26966737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).