N'-[4-(trifluoromethyl)phenyl]sulfonylpropanehydrazide

C10H11F3N2O3S — CID 8505524

IUPACN'-[4-(trifluoromethyl)phenyl]sulfonylpropanehydrazide
SMILESCCC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O3S/c1-2-9(16)14-15-19(17,18)8-5-3-7(4-6-8)10(11,12)13/h3-6,15H,2H2,1H3,(H,14,16)
InChIKeyDWOWLNUBYULNKD-UHFFFAOYSA-N
MW296.27 g/mol
LogP1.42
Rot. Bonds4

About N'-[4-(trifluoromethyl)phenyl]sulfonylpropanehydrazide

N'-[4-(trifluoromethyl)phenyl]sulfonylpropanehydrazide (PubChem CID 8505524) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is N'-[4-(trifluoromethyl)phenyl]sulfonylpropanehydrazide.

Molecular Properties

Compound NameN'-[4-(trifluoromethyl)phenyl]sulfonylpropanehydrazide
PubChem CID8505524
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC NameN'-[4-(trifluoromethyl)phenyl]sulfonylpropanehydrazide
SMILESCCC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O3S/c1-2-9(16)14-15-19(17,18)8-5-3-7(4-6-8)10(11,12)13/h3-6,15H,2H2,1H3,(H,14,16)
InChIKeyDWOWLNUBYULNKD-UHFFFAOYSA-N
XLogP1.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
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'-[4-(trifluoromethyl)phenyl]sulfonylpropanehydrazide?
The IUPAC name of N'-[4-(trifluoromethyl)phenyl]sulfonylpropanehydrazide (CID 8505524) is N'-[4-(trifluoromethyl)phenyl]sulfonylpropanehydrazide.
What is the SMILES notation for N'-[4-(trifluoromethyl)phenyl]sulfonylpropanehydrazide?
The canonical SMILES for N'-[4-(trifluoromethyl)phenyl]sulfonylpropanehydrazide is CCC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-[4-(trifluoromethyl)phenyl]sulfonylpropanehydrazide?
The InChIKey is DWOWLNUBYULNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c1-2-9(16)14-15-19(17,18)8-5-3-7(4-6-8)10(11,12)13/h3-6,15H,2H2,1H3,(H,14,16).
What are the key properties of N'-[4-(trifluoromethyl)phenyl]sulfonylpropanehydrazide?
N'-[4-(trifluoromethyl)phenyl]sulfonylpropanehydrazide has a molecular weight of 296.27 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'-[4-(trifluoromethyl)phenyl]sulfonylpropanehydrazide is sourced from PubChem (CID 8505524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).