4-bromo-6-fluoro-1-methylsulfonylindazole;ethane

C10H12BrFN2O2S — CID 153394747

IUPAC4-bromo-6-fluoro-1-methylsulfonylindazole;ethane
SMILESCC.CS(=O)(=O)n1ncc2c(Br)cc(F)cc21
InChIInChI=1S/C8H6BrFN2O2S.C2H6/c1-15(13,14)12-8-3-5(10)2-7(9)6(8)4-11-12;1-2/h2-4H,1H3;1-2H3
InChIKeyUUSSLBZURVHEEW-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.77
Rot. Bonds1

About 4-bromo-6-fluoro-1-methylsulfonylindazole;ethane

4-bromo-6-fluoro-1-methylsulfonylindazole;ethane (PubChem CID 153394747) has the molecular formula C10H12BrFN2O2S and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-bromo-6-fluoro-1-methylsulfonylindazole;ethane.

Molecular Properties

Compound Name4-bromo-6-fluoro-1-methylsulfonylindazole;ethane
PubChem CID153394747
Molecular FormulaC10H12BrFN2O2S
Molecular Weight323.19 g/mol
Exact Mass321.98
IUPAC Name4-bromo-6-fluoro-1-methylsulfonylindazole;ethane
SMILESCC.CS(=O)(=O)n1ncc2c(Br)cc(F)cc21
InChIInChI=1S/C8H6BrFN2O2S.C2H6/c1-15(13,14)12-8-3-5(10)2-7(9)6(8)4-11-12;1-2/h2-4H,1H3;1-2H3
InChIKeyUUSSLBZURVHEEW-UHFFFAOYSA-N
XLogP2.77
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-1-methylsulfonylindazole;ethane?
The IUPAC name of 4-bromo-6-fluoro-1-methylsulfonylindazole;ethane (CID 153394747) is 4-bromo-6-fluoro-1-methylsulfonylindazole;ethane.
What is the SMILES notation for 4-bromo-6-fluoro-1-methylsulfonylindazole;ethane?
The canonical SMILES for 4-bromo-6-fluoro-1-methylsulfonylindazole;ethane is CC.CS(=O)(=O)n1ncc2c(Br)cc(F)cc21.
What is the InChIKey of 4-bromo-6-fluoro-1-methylsulfonylindazole;ethane?
The InChIKey is UUSSLBZURVHEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFN2O2S.C2H6/c1-15(13,14)12-8-3-5(10)2-7(9)6(8)4-11-12;1-2/h2-4H,1H3;1-2H3.
What are the key properties of 4-bromo-6-fluoro-1-methylsulfonylindazole;ethane?
4-bromo-6-fluoro-1-methylsulfonylindazole;ethane has a molecular weight of 323.19 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-1-methylsulfonylindazole;ethane is sourced from PubChem (CID 153394747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).