[2-methylsulfonyl-5-(trifluoromethyl)phenyl]methylidenehydrazine

C9H9F3N2O2S — CID 168529813

IUPAC[2-methylsulfonyl-5-(trifluoromethyl)phenyl]methylidenehydrazine
SMILESCS(=O)(=O)c1ccc(C(F)(F)F)cc1C=NN
InChIInChI=1S/C9H9F3N2O2S/c1-17(15,16)8-3-2-7(9(10,11)12)4-6(8)5-14-13/h2-5H,13H2,1H3
InChIKeyZFLYKGJQDKYFTJ-UHFFFAOYSA-N
MW266.24 g/mol
LogP1.40
Rot. Bonds2

About [2-methylsulfonyl-5-(trifluoromethyl)phenyl]methylidenehydrazine

[2-methylsulfonyl-5-(trifluoromethyl)phenyl]methylidenehydrazine (PubChem CID 168529813) has the molecular formula C9H9F3N2O2S and a molecular weight of 266.24 g/mol. Its IUPAC name is [2-methylsulfonyl-5-(trifluoromethyl)phenyl]methylidenehydrazine.

Molecular Properties

Compound Name[2-methylsulfonyl-5-(trifluoromethyl)phenyl]methylidenehydrazine
PubChem CID168529813
Molecular FormulaC9H9F3N2O2S
Molecular Weight266.24 g/mol
Exact Mass266.03
IUPAC Name[2-methylsulfonyl-5-(trifluoromethyl)phenyl]methylidenehydrazine
SMILESCS(=O)(=O)c1ccc(C(F)(F)F)cc1C=NN
InChIInChI=1S/C9H9F3N2O2S/c1-17(15,16)8-3-2-7(9(10,11)12)4-6(8)5-14-13/h2-5H,13H2,1H3
InChIKeyZFLYKGJQDKYFTJ-UHFFFAOYSA-N
XLogP1.40
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methylsulfonyl-5-(trifluoromethyl)benzoic acid
CID 26598188
2-(3-chloro-4-methylsulfonylphenyl)propan-2-amine
CID 117372590
[2-fluoro-5-(trifluoromethyl)phenyl]methylidene-hydroxy-methyl-oxo-λ6-sulfane
CID 91401939
3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-3-oxopropanal
CID 54365557
[2-[(E)-hydrazinylidenemethyl]phenyl] 4-(trifluoromethyl)benzenesulfonate
CID 22185544
2,2-difluoro-2-(3-fluoro-4-methylsulfonylphenyl)ethanamine
CID 83236530
3-methylsulfonyl-7-(trifluoromethyl)-1,2,4-benzotriazine
CID 56616351
4-(trifluoromethyl)phthalaldehyde
CID 23496648
5-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169403044
(R)-N-[[2-chloro-5-(trifluoromethyl)phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 167531051
(R)-N-[[2-bromo-5-(trifluoromethyl)phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 167530770
1-[2-methyl-5-(trifluoromethyl)phenyl]-N-phenylmethanimine
CID 23340663

Frequently Asked Questions

What is the IUPAC name of [2-methylsulfonyl-5-(trifluoromethyl)phenyl]methylidenehydrazine?
The IUPAC name of [2-methylsulfonyl-5-(trifluoromethyl)phenyl]methylidenehydrazine (CID 168529813) is [2-methylsulfonyl-5-(trifluoromethyl)phenyl]methylidenehydrazine.
What is the SMILES notation for [2-methylsulfonyl-5-(trifluoromethyl)phenyl]methylidenehydrazine?
The canonical SMILES for [2-methylsulfonyl-5-(trifluoromethyl)phenyl]methylidenehydrazine is CS(=O)(=O)c1ccc(C(F)(F)F)cc1C=NN.
What is the InChIKey of [2-methylsulfonyl-5-(trifluoromethyl)phenyl]methylidenehydrazine?
The InChIKey is ZFLYKGJQDKYFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2S/c1-17(15,16)8-3-2-7(9(10,11)12)4-6(8)5-14-13/h2-5H,13H2,1H3.
What are the key properties of [2-methylsulfonyl-5-(trifluoromethyl)phenyl]methylidenehydrazine?
[2-methylsulfonyl-5-(trifluoromethyl)phenyl]methylidenehydrazine has a molecular weight of 266.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylsulfonyl-5-(trifluoromethyl)phenyl]methylidenehydrazine is sourced from PubChem (CID 168529813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).