[4-[(E)-2-(4-fluorosulfonyloxyphenyl)ethenyl]phenyl] sulfite

C14H10FO6S2- — CID 129034652

IUPAC[4-[(E)-2-(4-fluorosulfonyloxyphenyl)ethenyl]phenyl] sulfite
SMILESO=S([O-])Oc1ccc(/C=C/c2ccc(OS(=O)(=O)F)cc2)cc1
InChIInChI=1S/C14H11FO6S2/c15-23(18,19)21-14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)20-22(16)17/h1-10H,(H,16,17)/p-1/b2-1+
InChIKeyLLRBOIWURNXLFR-OWOJBTEDSA-M
MW357.36 g/mol
LogP2.62
Rot. Bonds6

About [4-[(E)-2-(4-fluorosulfonyloxyphenyl)ethenyl]phenyl] sulfite

[4-[(E)-2-(4-fluorosulfonyloxyphenyl)ethenyl]phenyl] sulfite (PubChem CID 129034652) has the molecular formula C14H10FO6S2- and a molecular weight of 357.36 g/mol. Its IUPAC name is [4-[(E)-2-(4-fluorosulfonyloxyphenyl)ethenyl]phenyl] sulfite.

Molecular Properties

Compound Name[4-[(E)-2-(4-fluorosulfonyloxyphenyl)ethenyl]phenyl] sulfite
PubChem CID129034652
Molecular FormulaC14H10FO6S2-
Molecular Weight357.36 g/mol
Exact Mass356.99
IUPAC Name[4-[(E)-2-(4-fluorosulfonyloxyphenyl)ethenyl]phenyl] sulfite
SMILESO=S([O-])Oc1ccc(/C=C/c2ccc(OS(=O)(=O)F)cc2)cc1
InChIInChI=1S/C14H11FO6S2/c15-23(18,19)21-14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)20-22(16)17/h1-10H,(H,16,17)/p-1/b2-1+
InChIKeyLLRBOIWURNXLFR-OWOJBTEDSA-M
XLogP2.62
TPSA92.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(fluorosulfonyloxy)benzene
CID 118561819
1-ethenylsulfonyl-4-fluorosulfonyloxybenzene
CID 169258949
[4-(2-phenylethenyl)phenyl] hydrogen sulfate
CID 175093290
[4-(trifluoromethoxy)phenyl] sulfite
CID 68538946
phenyl sulfite
CID 14972829
potassium phenyl sulfite
CID 162337240
sodium phenyl sulfite
CID 68748465
potassium [4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl] sulfate
CID 46855201
1-fluorosulfonyloxy-4-prop-2-enoxybenzene
CID 168819364
1-fluorosulfonyloxy-4-(hydroxymethyl)benzene
CID 137402069
(4-fluorosulfonyloxyphenyl) cyanate
CID 144973771
naphthalen-2-yl sulfite;nickel
CID 175470148

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-(4-fluorosulfonyloxyphenyl)ethenyl]phenyl] sulfite?
The IUPAC name of [4-[(E)-2-(4-fluorosulfonyloxyphenyl)ethenyl]phenyl] sulfite (CID 129034652) is [4-[(E)-2-(4-fluorosulfonyloxyphenyl)ethenyl]phenyl] sulfite.
What is the SMILES notation for [4-[(E)-2-(4-fluorosulfonyloxyphenyl)ethenyl]phenyl] sulfite?
The canonical SMILES for [4-[(E)-2-(4-fluorosulfonyloxyphenyl)ethenyl]phenyl] sulfite is O=S([O-])Oc1ccc(/C=C/c2ccc(OS(=O)(=O)F)cc2)cc1.
What is the InChIKey of [4-[(E)-2-(4-fluorosulfonyloxyphenyl)ethenyl]phenyl] sulfite?
The InChIKey is LLRBOIWURNXLFR-OWOJBTEDSA-M. The full InChI is InChI=1S/C14H11FO6S2/c15-23(18,19)21-14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)20-22(16)17/h1-10H,(H,16,17)/p-1/b2-1+.
What are the key properties of [4-[(E)-2-(4-fluorosulfonyloxyphenyl)ethenyl]phenyl] sulfite?
[4-[(E)-2-(4-fluorosulfonyloxyphenyl)ethenyl]phenyl] sulfite has a molecular weight of 357.36 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-(4-fluorosulfonyloxyphenyl)ethenyl]phenyl] sulfite is sourced from PubChem (CID 129034652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).