2-[3-(trifluoromethyl)phenyl]sulfanylpropanehydrazide

C10H11F3N2OS — CID 63580292

IUPAC2-[3-(trifluoromethyl)phenyl]sulfanylpropanehydrazide
SMILESCC(Sc1cccc(C(F)(F)F)c1)C(=O)NN
InChIInChI=1S/C10H11F3N2OS/c1-6(9(16)15-14)17-8-4-2-3-7(5-8)10(11,12)13/h2-6H,14H2,1H3,(H,15,16)
InChIKeyGXQWCTMUWLNCOL-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.18
Rot. Bonds3

About 2-[3-(trifluoromethyl)phenyl]sulfanylpropanehydrazide

2-[3-(trifluoromethyl)phenyl]sulfanylpropanehydrazide (PubChem CID 63580292) has the molecular formula C10H11F3N2OS and a molecular weight of 264.27 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]sulfanylpropanehydrazide.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]sulfanylpropanehydrazide
PubChem CID63580292
Molecular FormulaC10H11F3N2OS
Molecular Weight264.27 g/mol
Exact Mass264.05
IUPAC Name2-[3-(trifluoromethyl)phenyl]sulfanylpropanehydrazide
SMILESCC(Sc1cccc(C(F)(F)F)c1)C(=O)NN
InChIInChI=1S/C10H11F3N2OS/c1-6(9(16)15-14)17-8-4-2-3-7(5-8)10(11,12)13/h2-6H,14H2,1H3,(H,15,16)
InChIKeyGXQWCTMUWLNCOL-UHFFFAOYSA-N
XLogP2.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-(trifluoromethyl)phenyl]sulfanylpropanehydrazide 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

(2S)-N-[4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 7484755
2-(3-bromophenyl)sulfanylpropanehydrazide
CID 63579968
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 19712375
(2R)-2-(4-methylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 92801483
2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide
CID 60651104
(2R)-2-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 99864872
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylsulfanylpropanamide
CID 7820937
(2S)-N-(2-methoxy-5-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 7965057
2-[[4-[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785193
(2R)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 40623023
3-methoxy-N-[3-[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]sulfanylphenyl]benzamide
CID 18903236
2,2-difluoro-2-(3-propan-2-ylsulfanylphenyl)acetic acid
CID 105425708

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfanylpropanehydrazide?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfanylpropanehydrazide (CID 63580292) is 2-[3-(trifluoromethyl)phenyl]sulfanylpropanehydrazide.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]sulfanylpropanehydrazide?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]sulfanylpropanehydrazide is CC(Sc1cccc(C(F)(F)F)c1)C(=O)NN.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]sulfanylpropanehydrazide?
The InChIKey is GXQWCTMUWLNCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2OS/c1-6(9(16)15-14)17-8-4-2-3-7(5-8)10(11,12)13/h2-6H,14H2,1H3,(H,15,16).
What are the key properties of 2-[3-(trifluoromethyl)phenyl]sulfanylpropanehydrazide?
2-[3-(trifluoromethyl)phenyl]sulfanylpropanehydrazide has a molecular weight of 264.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]sulfanylpropanehydrazide is sourced from PubChem (CID 63580292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).