fluoro 1H-pyrazole-5-sulfonate

C3H3FN2O3S — CID 151130773

IUPACfluoro 1H-pyrazole-5-sulfonate
SMILESO=S(=O)(OF)c1ccn[nH]1
InChIInChI=1S/C3H3FN2O3S/c4-9-10(7,8)3-1-2-5-6-3/h1-2H,(H,5,6)
InChIKeyMUDVYUBZBSFBGL-UHFFFAOYSA-N
MW166.13 g/mol
LogP-0.00
Rot. Bonds2

About fluoro 1H-pyrazole-5-sulfonate

fluoro 1H-pyrazole-5-sulfonate (PubChem CID 151130773) has the molecular formula C3H3FN2O3S and a molecular weight of 166.13 g/mol. Its IUPAC name is fluoro 1H-pyrazole-5-sulfonate.

Molecular Properties

Compound Namefluoro 1H-pyrazole-5-sulfonate
PubChem CID151130773
Molecular FormulaC3H3FN2O3S
Molecular Weight166.13 g/mol
Exact Mass165.98
IUPAC Namefluoro 1H-pyrazole-5-sulfonate
SMILESO=S(=O)(OF)c1ccn[nH]1
InChIInChI=1S/C3H3FN2O3S/c4-9-10(7,8)3-1-2-5-6-3/h1-2H,(H,5,6)
InChIKeyMUDVYUBZBSFBGL-UHFFFAOYSA-N
XLogP-0.00
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.13
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of fluoro 1H-pyrazole-5-sulfonate?
The IUPAC name of fluoro 1H-pyrazole-5-sulfonate (CID 151130773) is fluoro 1H-pyrazole-5-sulfonate.
What is the SMILES notation for fluoro 1H-pyrazole-5-sulfonate?
The canonical SMILES for fluoro 1H-pyrazole-5-sulfonate is O=S(=O)(OF)c1ccn[nH]1.
What is the InChIKey of fluoro 1H-pyrazole-5-sulfonate?
The InChIKey is MUDVYUBZBSFBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FN2O3S/c4-9-10(7,8)3-1-2-5-6-3/h1-2H,(H,5,6).
What are the key properties of fluoro 1H-pyrazole-5-sulfonate?
fluoro 1H-pyrazole-5-sulfonate has a molecular weight of 166.13 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 1H-pyrazole-5-sulfonate is sourced from PubChem (CID 151130773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).