1H-indazole-6-sulfonyl fluoride

C7H5FN2O2S — CID 71925828

IUPAC1H-indazole-6-sulfonyl fluoride
SMILESO=S(=O)(F)c1ccc2cn[nH]c2c1
InChIInChI=1S/C7H5FN2O2S/c8-13(11,12)6-2-1-5-4-9-10-7(5)3-6/h1-4H,(H,9,10)
InChIKeyJRWOJNCNWIWTFG-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.22
Rot. Bonds1

About 1H-indazole-6-sulfonyl fluoride

1H-indazole-6-sulfonyl fluoride (PubChem CID 71925828) has the molecular formula C7H5FN2O2S and a molecular weight of 200.19 g/mol. Its IUPAC name is 1H-indazole-6-sulfonyl fluoride.

Molecular Properties

Compound Name1H-indazole-6-sulfonyl fluoride
PubChem CID71925828
Molecular FormulaC7H5FN2O2S
Molecular Weight200.19 g/mol
Exact Mass200.01
IUPAC Name1H-indazole-6-sulfonyl fluoride
SMILESO=S(=O)(F)c1ccc2cn[nH]c2c1
InChIInChI=1S/C7H5FN2O2S/c8-13(11,12)6-2-1-5-4-9-10-7(5)3-6/h1-4H,(H,9,10)
InChIKeyJRWOJNCNWIWTFG-UHFFFAOYSA-N
XLogP1.22
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-indazole-6-sulfonyl fluoride?
The IUPAC name of 1H-indazole-6-sulfonyl fluoride (CID 71925828) is 1H-indazole-6-sulfonyl fluoride.
What is the SMILES notation for 1H-indazole-6-sulfonyl fluoride?
The canonical SMILES for 1H-indazole-6-sulfonyl fluoride is O=S(=O)(F)c1ccc2cn[nH]c2c1.
What is the InChIKey of 1H-indazole-6-sulfonyl fluoride?
The InChIKey is JRWOJNCNWIWTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O2S/c8-13(11,12)6-2-1-5-4-9-10-7(5)3-6/h1-4H,(H,9,10).
What are the key properties of 1H-indazole-6-sulfonyl fluoride?
1H-indazole-6-sulfonyl fluoride has a molecular weight of 200.19 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazole-6-sulfonyl fluoride is sourced from PubChem (CID 71925828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).