fluoro-[4-[4-(fluorosulfonimidoyl)phenyl]sulfonylphenyl]-imino-oxo-λ6-sulfane

C12H10F2N2O4S3 — CID 134564767

IUPACfluoro-[4-[4-(fluorosulfonimidoyl)phenyl]sulfonylphenyl]-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(F)c1ccc(S(=O)(=O)c2ccc(S(=O)(F)=N[H])cc2)cc1
InChIInChI=1S/C12H10F2N2O4S3/c13-22(15,19)11-5-1-9(2-6-11)21(17,18)10-3-7-12(8-4-10)23(14,16)20/h1-8,15-16H
InChIKeySOALLNIQCCYHGL-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.10
Rot. Bonds4

About fluoro-[4-[4-(fluorosulfonimidoyl)phenyl]sulfonylphenyl]-imino-oxo-λ6-sulfane

fluoro-[4-[4-(fluorosulfonimidoyl)phenyl]sulfonylphenyl]-imino-oxo-λ6-sulfane (PubChem CID 134564767) has the molecular formula C12H10F2N2O4S3 and a molecular weight of 380.42 g/mol. Its IUPAC name is fluoro-[4-[4-(fluorosulfonimidoyl)phenyl]sulfonylphenyl]-imino-oxo-λ6-sulfane.

Molecular Properties

Compound Namefluoro-[4-[4-(fluorosulfonimidoyl)phenyl]sulfonylphenyl]-imino-oxo-λ6-sulfane
PubChem CID134564767
Molecular FormulaC12H10F2N2O4S3
Molecular Weight380.42 g/mol
Exact Mass379.98
IUPAC Namefluoro-[4-[4-(fluorosulfonimidoyl)phenyl]sulfonylphenyl]-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(F)c1ccc(S(=O)(=O)c2ccc(S(=O)(F)=N[H])cc2)cc1
InChIInChI=1S/C12H10F2N2O4S3/c13-22(15,19)11-5-1-9(2-6-11)21(17,18)10-3-7-12(8-4-10)23(14,16)20/h1-8,15-16H
InChIKeySOALLNIQCCYHGL-UHFFFAOYSA-N
XLogP3.10
TPSA115.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze fluoro-[4-[4-(fluorosulfonimidoyl)phenyl]sulfonylphenyl]-imino-oxo-λ6-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of fluoro-[4-[4-(fluorosulfonimidoyl)phenyl]sulfonylphenyl]-imino-oxo-λ6-sulfane?
The IUPAC name of fluoro-[4-[4-(fluorosulfonimidoyl)phenyl]sulfonylphenyl]-imino-oxo-λ6-sulfane (CID 134564767) is fluoro-[4-[4-(fluorosulfonimidoyl)phenyl]sulfonylphenyl]-imino-oxo-λ6-sulfane.
What is the SMILES notation for fluoro-[4-[4-(fluorosulfonimidoyl)phenyl]sulfonylphenyl]-imino-oxo-λ6-sulfane?
The canonical SMILES for fluoro-[4-[4-(fluorosulfonimidoyl)phenyl]sulfonylphenyl]-imino-oxo-λ6-sulfane is [H]N=S(=O)(F)c1ccc(S(=O)(=O)c2ccc(S(=O)(F)=N[H])cc2)cc1.
What is the InChIKey of fluoro-[4-[4-(fluorosulfonimidoyl)phenyl]sulfonylphenyl]-imino-oxo-λ6-sulfane?
The InChIKey is SOALLNIQCCYHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O4S3/c13-22(15,19)11-5-1-9(2-6-11)21(17,18)10-3-7-12(8-4-10)23(14,16)20/h1-8,15-16H.
What are the key properties of fluoro-[4-[4-(fluorosulfonimidoyl)phenyl]sulfonylphenyl]-imino-oxo-λ6-sulfane?
fluoro-[4-[4-(fluorosulfonimidoyl)phenyl]sulfonylphenyl]-imino-oxo-λ6-sulfane has a molecular weight of 380.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-[4-[4-(fluorosulfonimidoyl)phenyl]sulfonylphenyl]-imino-oxo-λ6-sulfane is sourced from PubChem (CID 134564767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).