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

C11H11F3N2O3S — CID 8523817

IUPACN'-[2-(trifluoromethyl)phenyl]sulfonylcyclopropanecarbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1C(F)(F)F)C1CC1
InChIInChI=1S/C11H11F3N2O3S/c12-11(13,14)8-3-1-2-4-9(8)20(18,19)16-15-10(17)7-5-6-7/h1-4,7,16H,5-6H2,(H,15,17)
InChIKeyUBRJXDIYDCBTMC-UHFFFAOYSA-N
MW308.28 g/mol
LogP1.42
Rot. Bonds4

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

N'-[2-(trifluoromethyl)phenyl]sulfonylcyclopropanecarbohydrazide (PubChem CID 8523817) has the molecular formula C11H11F3N2O3S and a molecular weight of 308.28 g/mol. Its IUPAC name is N'-[2-(trifluoromethyl)phenyl]sulfonylcyclopropanecarbohydrazide.

Molecular Properties

Compound NameN'-[2-(trifluoromethyl)phenyl]sulfonylcyclopropanecarbohydrazide
PubChem CID8523817
Molecular FormulaC11H11F3N2O3S
Molecular Weight308.28 g/mol
Exact Mass308.04
IUPAC NameN'-[2-(trifluoromethyl)phenyl]sulfonylcyclopropanecarbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1C(F)(F)F)C1CC1
InChIInChI=1S/C11H11F3N2O3S/c12-11(13,14)8-3-1-2-4-9(8)20(18,19)16-15-10(17)7-5-6-7/h1-4,7,16H,5-6H2,(H,15,17)
InChIKeyUBRJXDIYDCBTMC-UHFFFAOYSA-N
XLogP1.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 51.42
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-(trifluoromethyl)phenyl]sulfonylcyclopropanecarbohydrazide?
The IUPAC name of N'-[2-(trifluoromethyl)phenyl]sulfonylcyclopropanecarbohydrazide (CID 8523817) is N'-[2-(trifluoromethyl)phenyl]sulfonylcyclopropanecarbohydrazide.
What is the SMILES notation for N'-[2-(trifluoromethyl)phenyl]sulfonylcyclopropanecarbohydrazide?
The canonical SMILES for N'-[2-(trifluoromethyl)phenyl]sulfonylcyclopropanecarbohydrazide is O=C(NNS(=O)(=O)c1ccccc1C(F)(F)F)C1CC1.
What is the InChIKey of N'-[2-(trifluoromethyl)phenyl]sulfonylcyclopropanecarbohydrazide?
The InChIKey is UBRJXDIYDCBTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3S/c12-11(13,14)8-3-1-2-4-9(8)20(18,19)16-15-10(17)7-5-6-7/h1-4,7,16H,5-6H2,(H,15,17).
What are the key properties of N'-[2-(trifluoromethyl)phenyl]sulfonylcyclopropanecarbohydrazide?
N'-[2-(trifluoromethyl)phenyl]sulfonylcyclopropanecarbohydrazide has a molecular weight of 308.28 g/mol, XLogP of 1.42, 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]sulfonylcyclopropanecarbohydrazide is sourced from PubChem (CID 8523817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).