3-(3-fluorosulfonyloxy-4-methoxyphenoxy)-2,6-dioxopiperidine;molecular hydrogen

C12H14FNO7S — CID 177010401

IUPAC3-(3-fluorosulfonyloxy-4-methoxyphenoxy)-2,6-dioxopiperidine;molecular hydrogen
SMILESCOc1ccc(OC2CCC(=O)NC2=O)cc1OS(=O)(=O)F.[H][H]
InChIInChI=1S/C12H12FNO7S.H2/c1-19-8-3-2-7(6-10(8)21-22(13,17)18)20-9-4-5-11(15)14-12(9)16;/h2-3,6,9H,4-5H2,1H3,(H,14,15,16);1H
InChIKeyUZXSGDJOJIHLSQ-UHFFFAOYSA-N
MW335.31 g/mol
LogP0.72
Rot. Bonds5

About 3-(3-fluorosulfonyloxy-4-methoxyphenoxy)-2,6-dioxopiperidine;molecular hydrogen

3-(3-fluorosulfonyloxy-4-methoxyphenoxy)-2,6-dioxopiperidine;molecular hydrogen (PubChem CID 177010401) has the molecular formula C12H14FNO7S and a molecular weight of 335.31 g/mol. Its IUPAC name is 3-(3-fluorosulfonyloxy-4-methoxyphenoxy)-2,6-dioxopiperidine;molecular hydrogen.

Molecular Properties

Compound Name3-(3-fluorosulfonyloxy-4-methoxyphenoxy)-2,6-dioxopiperidine;molecular hydrogen
PubChem CID177010401
Molecular FormulaC12H14FNO7S
Molecular Weight335.31 g/mol
Exact Mass335.05
IUPAC Name3-(3-fluorosulfonyloxy-4-methoxyphenoxy)-2,6-dioxopiperidine;molecular hydrogen
SMILESCOc1ccc(OC2CCC(=O)NC2=O)cc1OS(=O)(=O)F.[H][H]
InChIInChI=1S/C12H12FNO7S.H2/c1-19-8-3-2-7(6-10(8)21-22(13,17)18)20-9-4-5-11(15)14-12(9)16;/h2-3,6,9H,4-5H2,1H3,(H,14,15,16);1H
InChIKeyUZXSGDJOJIHLSQ-UHFFFAOYSA-N
XLogP0.72
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]sulfamoyl fluoride;molecular hydrogen
CID 177010392
3-[4-(dimethylamino)phenoxy]piperidine-2,6-dione
CID 155261508
3-[4-(3-methoxypropoxy)phenoxy]piperidine-2,6-dione
CID 167027389
3-(2-acetyl-4-methylphenoxy)piperidine-2,6-dione
CID 146573435
3-(4-piperidin-3-ylphenoxy)piperidine-2,6-dione
CID 166472314
3-(3-fluorosulfonyloxy-4-pentan-3-ylanilino)-2,6-dioxopiperidine
CID 177010953
3-(5-chloro-2-methoxyanilino)piperidine-2,6-dione
CID 146573113
3-[4-[1-(1-aminoethenyl)piperidin-4-yl]phenoxy]piperidine-2,6-dione
CID 162725566
4-(3,4-dimethoxyphenyl)azetidin-2-one
CID 64667069
3-(4-methylphenoxy)pyrrolidine-2,5-dione
CID 20648098
4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazine-1-carboxylic acid
CID 156506164
(2,5-dimethoxyphenyl) sulfamate
CID 56992916

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorosulfonyloxy-4-methoxyphenoxy)-2,6-dioxopiperidine;molecular hydrogen?
The IUPAC name of 3-(3-fluorosulfonyloxy-4-methoxyphenoxy)-2,6-dioxopiperidine;molecular hydrogen (CID 177010401) is 3-(3-fluorosulfonyloxy-4-methoxyphenoxy)-2,6-dioxopiperidine;molecular hydrogen.
What is the SMILES notation for 3-(3-fluorosulfonyloxy-4-methoxyphenoxy)-2,6-dioxopiperidine;molecular hydrogen?
The canonical SMILES for 3-(3-fluorosulfonyloxy-4-methoxyphenoxy)-2,6-dioxopiperidine;molecular hydrogen is COc1ccc(OC2CCC(=O)NC2=O)cc1OS(=O)(=O)F.[H][H].
What is the InChIKey of 3-(3-fluorosulfonyloxy-4-methoxyphenoxy)-2,6-dioxopiperidine;molecular hydrogen?
The InChIKey is UZXSGDJOJIHLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO7S.H2/c1-19-8-3-2-7(6-10(8)21-22(13,17)18)20-9-4-5-11(15)14-12(9)16;/h2-3,6,9H,4-5H2,1H3,(H,14,15,16);1H.
What are the key properties of 3-(3-fluorosulfonyloxy-4-methoxyphenoxy)-2,6-dioxopiperidine;molecular hydrogen?
3-(3-fluorosulfonyloxy-4-methoxyphenoxy)-2,6-dioxopiperidine;molecular hydrogen has a molecular weight of 335.31 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorosulfonyloxy-4-methoxyphenoxy)-2,6-dioxopiperidine;molecular hydrogen is sourced from PubChem (CID 177010401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).