2-chloro-3-ethylquinoline-6-sulfonyl chloride

C11H9Cl2NO2S — CID 82045239

IUPAC2-chloro-3-ethylquinoline-6-sulfonyl chloride
SMILESCCc1cc2cc(S(=O)(=O)Cl)ccc2nc1Cl
InChIInChI=1S/C11H9Cl2NO2S/c1-2-7-5-8-6-9(17(13,15)16)3-4-10(8)14-11(7)12/h3-6H,2H2,1H3
InChIKeyPSVYFTTULJUKLM-UHFFFAOYSA-N
MW290.17 g/mol
LogP3.38
Rot. Bonds2

About 2-chloro-3-ethylquinoline-6-sulfonyl chloride

2-chloro-3-ethylquinoline-6-sulfonyl chloride (PubChem CID 82045239) has the molecular formula C11H9Cl2NO2S and a molecular weight of 290.17 g/mol. Its IUPAC name is 2-chloro-3-ethylquinoline-6-sulfonyl chloride.

Molecular Properties

Compound Name2-chloro-3-ethylquinoline-6-sulfonyl chloride
PubChem CID82045239
Molecular FormulaC11H9Cl2NO2S
Molecular Weight290.17 g/mol
Exact Mass288.97
IUPAC Name2-chloro-3-ethylquinoline-6-sulfonyl chloride
SMILESCCc1cc2cc(S(=O)(=O)Cl)ccc2nc1Cl
InChIInChI=1S/C11H9Cl2NO2S/c1-2-7-5-8-6-9(17(13,15)16)3-4-10(8)14-11(7)12/h3-6H,2H2,1H3
InChIKeyPSVYFTTULJUKLM-UHFFFAOYSA-N
XLogP3.38
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-3-ethylquinoline-6-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 2-chloro-3-ethylquinoline-6-sulfonyl chloride?
The IUPAC name of 2-chloro-3-ethylquinoline-6-sulfonyl chloride (CID 82045239) is 2-chloro-3-ethylquinoline-6-sulfonyl chloride.
What is the SMILES notation for 2-chloro-3-ethylquinoline-6-sulfonyl chloride?
The canonical SMILES for 2-chloro-3-ethylquinoline-6-sulfonyl chloride is CCc1cc2cc(S(=O)(=O)Cl)ccc2nc1Cl.
What is the InChIKey of 2-chloro-3-ethylquinoline-6-sulfonyl chloride?
The InChIKey is PSVYFTTULJUKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO2S/c1-2-7-5-8-6-9(17(13,15)16)3-4-10(8)14-11(7)12/h3-6H,2H2,1H3.
What are the key properties of 2-chloro-3-ethylquinoline-6-sulfonyl chloride?
2-chloro-3-ethylquinoline-6-sulfonyl chloride has a molecular weight of 290.17 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethylquinoline-6-sulfonyl chloride is sourced from PubChem (CID 82045239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).