[4-(2,5-dioxopyrrol-1-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide

C11H6F3N2O6S2- — CID 102155742

IUPAC[4-(2,5-dioxopyrrol-1-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESO=C1C=CC(=O)N1c1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H6F3N2O6S2/c12-11(13,14)24(21,22)15-23(19,20)8-3-1-7(2-4-8)16-9(17)5-6-10(16)18/h1-6H/q-1
InChIKeyFMWKOFLZISNHCV-UHFFFAOYSA-N
MW383.31 g/mol
LogP1.03
Rot. Bonds4

About [4-(2,5-dioxopyrrol-1-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide

[4-(2,5-dioxopyrrol-1-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide (PubChem CID 102155742) has the molecular formula C11H6F3N2O6S2- and a molecular weight of 383.31 g/mol. Its IUPAC name is [4-(2,5-dioxopyrrol-1-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name[4-(2,5-dioxopyrrol-1-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide
PubChem CID102155742
Molecular FormulaC11H6F3N2O6S2-
Molecular Weight383.31 g/mol
Exact Mass382.96
IUPAC Name[4-(2,5-dioxopyrrol-1-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESO=C1C=CC(=O)N1c1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H6F3N2O6S2/c12-11(13,14)24(21,22)15-23(19,20)8-3-1-7(2-4-8)16-9(17)5-6-10(16)18/h1-6H/q-1
InChIKeyFMWKOFLZISNHCV-UHFFFAOYSA-N
XLogP1.03
TPSA119.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.31
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dioxopyrrol-1-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The IUPAC name of [4-(2,5-dioxopyrrol-1-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide (CID 102155742) is [4-(2,5-dioxopyrrol-1-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for [4-(2,5-dioxopyrrol-1-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for [4-(2,5-dioxopyrrol-1-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide is O=C1C=CC(=O)N1c1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of [4-(2,5-dioxopyrrol-1-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The InChIKey is FMWKOFLZISNHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N2O6S2/c12-11(13,14)24(21,22)15-23(19,20)8-3-1-7(2-4-8)16-9(17)5-6-10(16)18/h1-6H/q-1.
What are the key properties of [4-(2,5-dioxopyrrol-1-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
[4-(2,5-dioxopyrrol-1-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 383.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dioxopyrrol-1-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 102155742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).