2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]acetohydrazide

C10H11F3N2O2S — CID 2803876

IUPAC2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]acetohydrazide
SMILESNNC(=O)CS(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O2S/c11-10(12,13)8-3-1-2-7(4-8)5-18(17)6-9(16)15-14/h1-4H,5-6,14H2,(H,15,16)
InChIKeyALYDXRIQYQQJEJ-UHFFFAOYSA-N
MW280.27 g/mol
LogP0.94
Rot. Bonds4

About 2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]acetohydrazide

2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]acetohydrazide (PubChem CID 2803876) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]acetohydrazide.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]acetohydrazide
PubChem CID2803876
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC Name2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]acetohydrazide
SMILESNNC(=O)CS(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O2S/c11-10(12,13)8-3-1-2-7(4-8)5-18(17)6-9(16)15-14/h1-4H,5-6,14H2,(H,15,16)
InChIKeyALYDXRIQYQQJEJ-UHFFFAOYSA-N
XLogP0.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 50.94
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'}

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Related Compounds

Benzyl-Substituted Sulfonylpyridazinone, 15d
CID 9901538
2-[[3-(Trifluoromethyl)phenyl]methylsulfanyl]propanamide
CID 162662631
2,2,2-trifluoro-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]acetohydrazide
CID 2728154
2-Benzylsulfonylacetohydrazide
CID 11817035
2-(Benzylthio)acetohydrazide
CID 4466810
3-[[3-(difluoromethyl)phenyl]methylsulfonyl]-1H-pyridazin-6-one
CID 22721973
2-[(4-Fluorophenyl)methylsulfonyl]-2-methylpropanehydrazide
CID 58057153
2-[(4-Methylphenyl)methylsulfonyl]acetohydrazide
CID 11299491
2-[[3-(Trifluoromethyl)phenyl]methylsulfanyl]acetamide
CID 2798055
2-[[3-[3-(Trifluoromethyl)phenyl]phenyl]methylsulfinyl]acetamide
CID 11595308
2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetohydrazide
CID 11859561
2-[(2-Fluorobenzyl)thio]acetohydrazide
CID 17372883

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]acetohydrazide?
The IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]acetohydrazide (CID 2803876) is 2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]acetohydrazide.
What is the SMILES notation for 2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]acetohydrazide?
The canonical SMILES for 2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]acetohydrazide is NNC(=O)CS(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]acetohydrazide?
The InChIKey is ALYDXRIQYQQJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c11-10(12,13)8-3-1-2-7(4-8)5-18(17)6-9(16)15-14/h1-4H,5-6,14H2,(H,15,16).
What are the key properties of 2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]acetohydrazide?
2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]acetohydrazide has a molecular weight of 280.27 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]acetohydrazide is sourced from PubChem (CID 2803876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).