[4-(trifluoromethylsulfonyl)phenyl]hydrazine

C7H7F3N2O2S — CID 1391565

IUPAC[4-(trifluoromethylsulfonyl)phenyl]hydrazine
SMILESNNc1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)15(13,14)6-3-1-5(12-11)2-4-6/h1-4,12H,11H2
InChIKeySIJLORWDYWCBPZ-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.27
Rot. Bonds2

About [4-(trifluoromethylsulfonyl)phenyl]hydrazine

[4-(trifluoromethylsulfonyl)phenyl]hydrazine (PubChem CID 1391565) has the molecular formula C7H7F3N2O2S and a molecular weight of 240.21 g/mol. Its IUPAC name is [4-(trifluoromethylsulfonyl)phenyl]hydrazine.

Molecular Properties

Compound Name[4-(trifluoromethylsulfonyl)phenyl]hydrazine
PubChem CID1391565
Molecular FormulaC7H7F3N2O2S
Molecular Weight240.21 g/mol
Exact Mass240.02
IUPAC Name[4-(trifluoromethylsulfonyl)phenyl]hydrazine
SMILESNNc1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)15(13,14)6-3-1-5(12-11)2-4-6/h1-4,12H,11H2
InChIKeySIJLORWDYWCBPZ-UHFFFAOYSA-N
XLogP1.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Hydrazinobenzenesulfonic acid
CID 66825
p-Hydrazinobenzenesulphonamide
CID 78105
4-(Trifluoromethanesulfonyl)benzene-1,2-diamine
CID 2063462
2-Difluoromethanesulfonylaniline
CID 710593
4-Aminophenyl trifluoromethyl sulphone
CID 136315
3-Fluoro-4-hydrazino-benzenesulfonamide
CID 10932611
4-Hydrazinylbenzenesulfonamide hydrochloride
CID 2794567
2-Fluoro-4-(methylsulphonyl)aniline
CID 2783385
4-Difluoromethanesulfonylaniline
CID 825467
4-((Trifluoromethyl)sulfinyl)aniline
CID 2354794
3-((Trifluoromethyl)sulfonyl)aniline
CID 2735943
4-(Methylsulphonyl)phenylhydrazine
CID 70142

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethylsulfonyl)phenyl]hydrazine?
The IUPAC name of [4-(trifluoromethylsulfonyl)phenyl]hydrazine (CID 1391565) is [4-(trifluoromethylsulfonyl)phenyl]hydrazine.
What is the SMILES notation for [4-(trifluoromethylsulfonyl)phenyl]hydrazine?
The canonical SMILES for [4-(trifluoromethylsulfonyl)phenyl]hydrazine is NNc1ccc(S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethylsulfonyl)phenyl]hydrazine?
The InChIKey is SIJLORWDYWCBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2S/c8-7(9,10)15(13,14)6-3-1-5(12-11)2-4-6/h1-4,12H,11H2.
What are the key properties of [4-(trifluoromethylsulfonyl)phenyl]hydrazine?
[4-(trifluoromethylsulfonyl)phenyl]hydrazine has a molecular weight of 240.21 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethylsulfonyl)phenyl]hydrazine is sourced from PubChem (CID 1391565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).