3-bromo-8-methylsulfonylquinoline

C10H8BrNO2S — CID 118997326

IUPAC3-bromo-8-methylsulfonylquinoline
SMILESCS(=O)(=O)c1cccc2cc(Br)cnc12
InChIInChI=1S/C10H8BrNO2S/c1-15(13,14)9-4-2-3-7-5-8(11)6-12-10(7)9/h2-6H,1H3
InChIKeyORPQSKGINOMBKK-UHFFFAOYSA-N
MW286.15 g/mol
LogP2.40
Rot. Bonds1

About 3-bromo-8-methylsulfonylquinoline

3-bromo-8-methylsulfonylquinoline (PubChem CID 118997326) has the molecular formula C10H8BrNO2S and a molecular weight of 286.15 g/mol. Its IUPAC name is 3-bromo-8-methylsulfonylquinoline.

Molecular Properties

Compound Name3-bromo-8-methylsulfonylquinoline
PubChem CID118997326
Molecular FormulaC10H8BrNO2S
Molecular Weight286.15 g/mol
Exact Mass284.95
IUPAC Name3-bromo-8-methylsulfonylquinoline
SMILESCS(=O)(=O)c1cccc2cc(Br)cnc12
InChIInChI=1S/C10H8BrNO2S/c1-15(13,14)9-4-2-3-7-5-8(11)6-12-10(7)9/h2-6H,1H3
InChIKeyORPQSKGINOMBKK-UHFFFAOYSA-N
XLogP2.40
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.15
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-methylsulfonylquinoline?
The IUPAC name of 3-bromo-8-methylsulfonylquinoline (CID 118997326) is 3-bromo-8-methylsulfonylquinoline.
What is the SMILES notation for 3-bromo-8-methylsulfonylquinoline?
The canonical SMILES for 3-bromo-8-methylsulfonylquinoline is CS(=O)(=O)c1cccc2cc(Br)cnc12.
What is the InChIKey of 3-bromo-8-methylsulfonylquinoline?
The InChIKey is ORPQSKGINOMBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2S/c1-15(13,14)9-4-2-3-7-5-8(11)6-12-10(7)9/h2-6H,1H3.
What are the key properties of 3-bromo-8-methylsulfonylquinoline?
3-bromo-8-methylsulfonylquinoline has a molecular weight of 286.15 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-methylsulfonylquinoline is sourced from PubChem (CID 118997326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).