1-(4-methylsulfonylphenyl)-2-(trifluoromethyl)hydrazine

C8H9F3N2O2S — CID 54029350

IUPAC1-(4-methylsulfonylphenyl)-2-(trifluoromethyl)hydrazine
SMILESCS(=O)(=O)c1ccc(NNC(F)(F)F)cc1
InChIInChI=1S/C8H9F3N2O2S/c1-16(14,15)7-4-2-6(3-5-7)12-13-8(9,10)11/h2-5,12-13H,1H3
InChIKeyLELURRRCTNSESM-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.53
Rot. Bonds3

About 1-(4-methylsulfonylphenyl)-2-(trifluoromethyl)hydrazine

1-(4-methylsulfonylphenyl)-2-(trifluoromethyl)hydrazine (PubChem CID 54029350) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-2-(trifluoromethyl)hydrazine.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-2-(trifluoromethyl)hydrazine
PubChem CID54029350
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name1-(4-methylsulfonylphenyl)-2-(trifluoromethyl)hydrazine
SMILESCS(=O)(=O)c1ccc(NNC(F)(F)F)cc1
InChIInChI=1S/C8H9F3N2O2S/c1-16(14,15)7-4-2-6(3-5-7)12-13-8(9,10)11/h2-5,12-13H,1H3
InChIKeyLELURRRCTNSESM-UHFFFAOYSA-N
XLogP1.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-2-(trifluoromethyl)hydrazine?
The IUPAC name of 1-(4-methylsulfonylphenyl)-2-(trifluoromethyl)hydrazine (CID 54029350) is 1-(4-methylsulfonylphenyl)-2-(trifluoromethyl)hydrazine.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-2-(trifluoromethyl)hydrazine?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-2-(trifluoromethyl)hydrazine is CS(=O)(=O)c1ccc(NNC(F)(F)F)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-2-(trifluoromethyl)hydrazine?
The InChIKey is LELURRRCTNSESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c1-16(14,15)7-4-2-6(3-5-7)12-13-8(9,10)11/h2-5,12-13H,1H3.
What are the key properties of 1-(4-methylsulfonylphenyl)-2-(trifluoromethyl)hydrazine?
1-(4-methylsulfonylphenyl)-2-(trifluoromethyl)hydrazine has a molecular weight of 254.23 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-2-(trifluoromethyl)hydrazine is sourced from PubChem (CID 54029350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).