methanidyl-[3-(trifluoromethyl)phenyl]sulfonylazanium

C8H8F3NO2S — CID 59280550

IUPACmethanidyl-[3-(trifluoromethyl)phenyl]sulfonylazanium
SMILES[CH2-][NH2+]S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H8F3NO2S/c1-12-15(13,14)7-4-2-3-6(5-7)8(9,10)11/h2-5H,1,12H2
InChIKeyMSLSTQBFRHCRET-UHFFFAOYSA-N
MW239.22 g/mol
LogP0.75
Rot. Bonds2

About methanidyl-[3-(trifluoromethyl)phenyl]sulfonylazanium

methanidyl-[3-(trifluoromethyl)phenyl]sulfonylazanium (PubChem CID 59280550) has the molecular formula C8H8F3NO2S and a molecular weight of 239.22 g/mol. Its IUPAC name is methanidyl-[3-(trifluoromethyl)phenyl]sulfonylazanium.

Molecular Properties

Compound Namemethanidyl-[3-(trifluoromethyl)phenyl]sulfonylazanium
PubChem CID59280550
Molecular FormulaC8H8F3NO2S
Molecular Weight239.22 g/mol
Exact Mass239.02
IUPAC Namemethanidyl-[3-(trifluoromethyl)phenyl]sulfonylazanium
SMILES[CH2-][NH2+]S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H8F3NO2S/c1-12-15(13,14)7-4-2-3-6(5-7)8(9,10)11/h2-5H,1,12H2
InChIKeyMSLSTQBFRHCRET-UHFFFAOYSA-N
XLogP0.75
TPSA50.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

(3-fluorophenyl)sulfonyl-methanidylazanium
CID 59280611
potassium [3-(trifluoromethyl)phenyl]sulfonylazanide
CID 131721326
CID 70262336
CID 70262336
(3-chlorophenyl)sulfonyl-methanidylazanium
CID 59280704
N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzenesulfonamide
CID 82724634
2,2-difluoro-2-[3-(trifluoromethyl)phenyl]sulfonylacetic acid
CID 81218082
1-(1-chloroethylsulfonyl)-3-(trifluoromethyl)benzene
CID 140553640
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-methanidylazanium
CID 59280579
N-[2-[bis[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethyl]amino]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11029080
2,6-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 3253254
2-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine
CID 64644682

Frequently Asked Questions

What is the IUPAC name of methanidyl-[3-(trifluoromethyl)phenyl]sulfonylazanium?
The IUPAC name of methanidyl-[3-(trifluoromethyl)phenyl]sulfonylazanium (CID 59280550) is methanidyl-[3-(trifluoromethyl)phenyl]sulfonylazanium.
What is the SMILES notation for methanidyl-[3-(trifluoromethyl)phenyl]sulfonylazanium?
The canonical SMILES for methanidyl-[3-(trifluoromethyl)phenyl]sulfonylazanium is [CH2-][NH2+]S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of methanidyl-[3-(trifluoromethyl)phenyl]sulfonylazanium?
The InChIKey is MSLSTQBFRHCRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S/c1-12-15(13,14)7-4-2-3-6(5-7)8(9,10)11/h2-5H,1,12H2.
What are the key properties of methanidyl-[3-(trifluoromethyl)phenyl]sulfonylazanium?
methanidyl-[3-(trifluoromethyl)phenyl]sulfonylazanium has a molecular weight of 239.22 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-[3-(trifluoromethyl)phenyl]sulfonylazanium is sourced from PubChem (CID 59280550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).