5-fluoro-2-methylsulfonyl-1H-indol-6-ol

C9H8FNO3S — CID 57207371

IUPAC5-fluoro-2-methylsulfonyl-1H-indol-6-ol
SMILESCS(=O)(=O)c1cc2cc(F)c(O)cc2[nH]1
InChIInChI=1S/C9H8FNO3S/c1-15(13,14)9-3-5-2-6(10)8(12)4-7(5)11-9/h2-4,11-12H,1H3
InChIKeySFBYIPXQCQVOIX-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.42
Rot. Bonds1

About 5-fluoro-2-methylsulfonyl-1H-indol-6-ol

5-fluoro-2-methylsulfonyl-1H-indol-6-ol (PubChem CID 57207371) has the molecular formula C9H8FNO3S and a molecular weight of 229.23 g/mol. Its IUPAC name is 5-fluoro-2-methylsulfonyl-1H-indol-6-ol.

Molecular Properties

Compound Name5-fluoro-2-methylsulfonyl-1H-indol-6-ol
PubChem CID57207371
Molecular FormulaC9H8FNO3S
Molecular Weight229.23 g/mol
Exact Mass229.02
IUPAC Name5-fluoro-2-methylsulfonyl-1H-indol-6-ol
SMILESCS(=O)(=O)c1cc2cc(F)c(O)cc2[nH]1
InChIInChI=1S/C9H8FNO3S/c1-15(13,14)9-3-5-2-6(10)8(12)4-7(5)11-9/h2-4,11-12H,1H3
InChIKeySFBYIPXQCQVOIX-UHFFFAOYSA-N
XLogP1.42
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methylsulfonyl-1H-indol-6-ol?
The IUPAC name of 5-fluoro-2-methylsulfonyl-1H-indol-6-ol (CID 57207371) is 5-fluoro-2-methylsulfonyl-1H-indol-6-ol.
What is the SMILES notation for 5-fluoro-2-methylsulfonyl-1H-indol-6-ol?
The canonical SMILES for 5-fluoro-2-methylsulfonyl-1H-indol-6-ol is CS(=O)(=O)c1cc2cc(F)c(O)cc2[nH]1.
What is the InChIKey of 5-fluoro-2-methylsulfonyl-1H-indol-6-ol?
The InChIKey is SFBYIPXQCQVOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO3S/c1-15(13,14)9-3-5-2-6(10)8(12)4-7(5)11-9/h2-4,11-12H,1H3.
What are the key properties of 5-fluoro-2-methylsulfonyl-1H-indol-6-ol?
5-fluoro-2-methylsulfonyl-1H-indol-6-ol has a molecular weight of 229.23 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methylsulfonyl-1H-indol-6-ol is sourced from PubChem (CID 57207371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).