7-bromo-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonyl chloride

C9H7BrClNO3S — CID 54596060

IUPAC7-bromo-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonyl chloride
SMILESO=C1CCc2cc(S(=O)(=O)Cl)c(Br)cc2N1
InChIInChI=1S/C9H7BrClNO3S/c10-6-4-7-5(1-2-9(13)12-7)3-8(6)16(11,14)15/h3-4H,1-2H2,(H,12,13)
InChIKeyMLHVXSDDWHNCPX-UHFFFAOYSA-N
MW324.58 g/mol
LogP2.26
Rot. Bonds1

About 7-bromo-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonyl chloride

7-bromo-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonyl chloride (PubChem CID 54596060) has the molecular formula C9H7BrClNO3S and a molecular weight of 324.58 g/mol. Its IUPAC name is 7-bromo-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonyl chloride.

Molecular Properties

Compound Name7-bromo-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonyl chloride
PubChem CID54596060
Molecular FormulaC9H7BrClNO3S
Molecular Weight324.58 g/mol
Exact Mass322.90
IUPAC Name7-bromo-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonyl chloride
SMILESO=C1CCc2cc(S(=O)(=O)Cl)c(Br)cc2N1
InChIInChI=1S/C9H7BrClNO3S/c10-6-4-7-5(1-2-9(13)12-7)3-8(6)16(11,14)15/h3-4H,1-2H2,(H,12,13)
InChIKeyMLHVXSDDWHNCPX-UHFFFAOYSA-N
XLogP2.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.58
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonyl chloride?
The IUPAC name of 7-bromo-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonyl chloride (CID 54596060) is 7-bromo-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonyl chloride.
What is the SMILES notation for 7-bromo-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonyl chloride?
The canonical SMILES for 7-bromo-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonyl chloride is O=C1CCc2cc(S(=O)(=O)Cl)c(Br)cc2N1.
What is the InChIKey of 7-bromo-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonyl chloride?
The InChIKey is MLHVXSDDWHNCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClNO3S/c10-6-4-7-5(1-2-9(13)12-7)3-8(6)16(11,14)15/h3-4H,1-2H2,(H,12,13).
What are the key properties of 7-bromo-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonyl chloride?
7-bromo-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonyl chloride has a molecular weight of 324.58 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonyl chloride is sourced from PubChem (CID 54596060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).