(3-fluorophenyl)sulfonyl-methanidylazanium

C7H8FNO2S — CID 59280611

IUPAC(3-fluorophenyl)sulfonyl-methanidylazanium
SMILES[CH2-][NH2+]S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C7H8FNO2S/c1-9-12(10,11)7-4-2-3-6(8)5-7/h2-5H,1,9H2
InChIKeyFTXNUDSAFITZJJ-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.13
Rot. Bonds2

About (3-fluorophenyl)sulfonyl-methanidylazanium

(3-fluorophenyl)sulfonyl-methanidylazanium (PubChem CID 59280611) has the molecular formula C7H8FNO2S and a molecular weight of 189.21 g/mol. Its IUPAC name is (3-fluorophenyl)sulfonyl-methanidylazanium.

Molecular Properties

Compound Name(3-fluorophenyl)sulfonyl-methanidylazanium
PubChem CID59280611
Molecular FormulaC7H8FNO2S
Molecular Weight189.21 g/mol
Exact Mass189.03
IUPAC Name(3-fluorophenyl)sulfonyl-methanidylazanium
SMILES[CH2-][NH2+]S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C7H8FNO2S/c1-9-12(10,11)7-4-2-3-6(8)5-7/h2-5H,1,9H2
InChIKeyFTXNUDSAFITZJJ-UHFFFAOYSA-N
XLogP-0.13
TPSA50.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.13
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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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)sulfonyl-methanidylazanium?
The IUPAC name of (3-fluorophenyl)sulfonyl-methanidylazanium (CID 59280611) is (3-fluorophenyl)sulfonyl-methanidylazanium.
What is the SMILES notation for (3-fluorophenyl)sulfonyl-methanidylazanium?
The canonical SMILES for (3-fluorophenyl)sulfonyl-methanidylazanium is [CH2-][NH2+]S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)sulfonyl-methanidylazanium?
The InChIKey is FTXNUDSAFITZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2S/c1-9-12(10,11)7-4-2-3-6(8)5-7/h2-5H,1,9H2.
What are the key properties of (3-fluorophenyl)sulfonyl-methanidylazanium?
(3-fluorophenyl)sulfonyl-methanidylazanium has a molecular weight of 189.21 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)sulfonyl-methanidylazanium is sourced from PubChem (CID 59280611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).