5-chloroquinoline-8-sulfonyl chloride

C9H5Cl2NO2S — CID 4206949

IUPAC5-chloroquinoline-8-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C9H5Cl2NO2S/c10-7-3-4-8(15(11,13)14)9-6(7)2-1-5-12-9/h1-5H
InChIKeyAGMXPLMVUMLWLA-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.82
Rot. Bonds1

About 5-chloroquinoline-8-sulfonyl chloride

5-chloroquinoline-8-sulfonyl chloride (PubChem CID 4206949) has the molecular formula C9H5Cl2NO2S and a molecular weight of 262.12 g/mol. Its IUPAC name is 5-chloroquinoline-8-sulfonyl chloride.

Molecular Properties

Compound Name5-chloroquinoline-8-sulfonyl chloride
PubChem CID4206949
Molecular FormulaC9H5Cl2NO2S
Molecular Weight262.12 g/mol
Exact Mass260.94
IUPAC Name5-chloroquinoline-8-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C9H5Cl2NO2S/c10-7-3-4-8(15(11,13)14)9-6(7)2-1-5-12-9/h1-5H
InChIKeyAGMXPLMVUMLWLA-UHFFFAOYSA-N
XLogP2.82
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-8-(sulfamoylamino)quinoline
CID 112573673
(5-chloroquinolin-8-yl) methanesulfonate
CID 86302357
aluminum tris(5-chloroquinolin-8-olate)
CID 67131824
5-but-2-ynoxyquinoline-8-sulfonyl chloride
CID 103044649
5-(4-methylpentoxy)quinoline-8-sulfonyl chloride
CID 103044656
2-[(5-chloroquinolin-8-yl)amino]ethanesulfonamide
CID 114384833
5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine
CID 116783967
CID 172791001
CID 172791001
tris(5-chloroquinolin-8-yl)alumane
CID 151822878
5-(oxan-4-yloxy)quinoline-8-sulfonyl chloride
CID 103044607
5-[2-(methylamino)-2-oxoethoxy]quinoline-8-sulfonyl chloride
CID 103044651
8-propan-2-yloxyquinoline-5-sulfonyl chloride
CID 43115660

Frequently Asked Questions

What is the IUPAC name of 5-chloroquinoline-8-sulfonyl chloride?
The IUPAC name of 5-chloroquinoline-8-sulfonyl chloride (CID 4206949) is 5-chloroquinoline-8-sulfonyl chloride.
What is the SMILES notation for 5-chloroquinoline-8-sulfonyl chloride?
The canonical SMILES for 5-chloroquinoline-8-sulfonyl chloride is O=S(=O)(Cl)c1ccc(Cl)c2cccnc12.
What is the InChIKey of 5-chloroquinoline-8-sulfonyl chloride?
The InChIKey is AGMXPLMVUMLWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO2S/c10-7-3-4-8(15(11,13)14)9-6(7)2-1-5-12-9/h1-5H.
What are the key properties of 5-chloroquinoline-8-sulfonyl chloride?
5-chloroquinoline-8-sulfonyl chloride has a molecular weight of 262.12 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloroquinoline-8-sulfonyl chloride is sourced from PubChem (CID 4206949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).