fluoro benzenesulfonate

C6H5FO3S — CID 145272167

IUPACfluoro benzenesulfonate
SMILESO=S(=O)(OF)c1ccccc1
InChIInChI=1S/C6H5FO3S/c7-10-11(8,9)6-4-2-1-3-5-6/h1-5H
InChIKeyXMWSUKJNPRAXAU-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.28
Rot. Bonds2

About fluoro benzenesulfonate

fluoro benzenesulfonate (PubChem CID 145272167) has the molecular formula C6H5FO3S and a molecular weight of 176.17 g/mol. Its IUPAC name is fluoro benzenesulfonate.

Molecular Properties

Compound Namefluoro benzenesulfonate
PubChem CID145272167
Molecular FormulaC6H5FO3S
Molecular Weight176.17 g/mol
Exact Mass175.99
IUPAC Namefluoro benzenesulfonate
SMILESO=S(=O)(OF)c1ccccc1
InChIInChI=1S/C6H5FO3S/c7-10-11(8,9)6-4-2-1-3-5-6/h1-5H
InChIKeyXMWSUKJNPRAXAU-UHFFFAOYSA-N
XLogP1.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

amino benzenesulfonate;zinc
CID 175523856
[(E)-benzenesulfonyloxydiazenyl] benzenesulfonate
CID 144681395
sodium sulfido benzenesulfonate
CID 58825267
trifluoromethoxy benzenesulfonate
CID 140517692
nitroso benzenesulfonate
CID 88672539
bis(benzenesulfonyloxy)-oxophosphanium
CID 87283372
(2-fluoroanilino) benzenesulfonate
CID 57261347
Hydroxymethyl benzenesulfonate--aluminium (1/1)
CID 57354388
[amino(benzenesulfonyloxy)phosphoryl] benzenesulfonate
CID 175594882
CID 172832432
CID 172832432
CID 88835909
CID 88835909
CID 87966251
CID 87966251

Frequently Asked Questions

What is the IUPAC name of fluoro benzenesulfonate?
The IUPAC name of fluoro benzenesulfonate (CID 145272167) is fluoro benzenesulfonate.
What is the SMILES notation for fluoro benzenesulfonate?
The canonical SMILES for fluoro benzenesulfonate is O=S(=O)(OF)c1ccccc1.
What is the InChIKey of fluoro benzenesulfonate?
The InChIKey is XMWSUKJNPRAXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FO3S/c7-10-11(8,9)6-4-2-1-3-5-6/h1-5H.
What are the key properties of fluoro benzenesulfonate?
fluoro benzenesulfonate has a molecular weight of 176.17 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro benzenesulfonate is sourced from PubChem (CID 145272167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).