quinoline-8-sulfonyl chloride

C9H6ClNO2S — CID 29220

IUPACquinoline-8-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc2cccnc12
InChIInChI=1S/C9H6ClNO2S/c10-14(12,13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H
InChIKeyJUYUYCIJACTHMK-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.16
Rot. Bonds1

About quinoline-8-sulfonyl chloride

quinoline-8-sulfonyl chloride (PubChem CID 29220) has the molecular formula C9H6ClNO2S and a molecular weight of 227.67 g/mol. Its IUPAC name is quinoline-8-sulfonyl chloride.

Molecular Properties

Compound Namequinoline-8-sulfonyl chloride
PubChem CID29220
Molecular FormulaC9H6ClNO2S
Molecular Weight227.67 g/mol
Exact Mass226.98
IUPAC Namequinoline-8-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc2cccnc12
InChIInChI=1S/C9H6ClNO2S/c10-14(12,13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H
InChIKeyJUYUYCIJACTHMK-UHFFFAOYSA-N
XLogP2.16
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze quinoline-8-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of quinoline-8-sulfonyl chloride?
The IUPAC name of quinoline-8-sulfonyl chloride (CID 29220) is quinoline-8-sulfonyl chloride.
What is the SMILES notation for quinoline-8-sulfonyl chloride?
The canonical SMILES for quinoline-8-sulfonyl chloride is O=S(=O)(Cl)c1cccc2cccnc12.
What is the InChIKey of quinoline-8-sulfonyl chloride?
The InChIKey is JUYUYCIJACTHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2S/c10-14(12,13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H.
What are the key properties of quinoline-8-sulfonyl chloride?
quinoline-8-sulfonyl chloride has a molecular weight of 227.67 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline-8-sulfonyl chloride is sourced from PubChem (CID 29220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).