8-iodo-3-sulfonyl-4H-quinoline

C9H6INO2S — CID 87542348

IUPAC8-iodo-3-sulfonyl-4H-quinoline
SMILESO=S(=O)=C1C=Nc2c(I)cccc2C1
InChIInChI=1S/C9H6INO2S/c10-8-3-1-2-6-4-7(14(12)13)5-11-9(6)8/h1-3,5H,4H2
InChIKeyZKDRVCKTVXYPLU-UHFFFAOYSA-N
MW319.12 g/mol
LogP1.60
Rot. Bonds

About 8-iodo-3-sulfonyl-4H-quinoline

8-iodo-3-sulfonyl-4H-quinoline (PubChem CID 87542348) has the molecular formula C9H6INO2S and a molecular weight of 319.12 g/mol. Its IUPAC name is 8-iodo-3-sulfonyl-4H-quinoline.

Molecular Properties

Compound Name8-iodo-3-sulfonyl-4H-quinoline
PubChem CID87542348
Molecular FormulaC9H6INO2S
Molecular Weight319.12 g/mol
Exact Mass318.92
IUPAC Name8-iodo-3-sulfonyl-4H-quinoline
SMILESO=S(=O)=C1C=Nc2c(I)cccc2C1
InChIInChI=1S/C9H6INO2S/c10-8-3-1-2-6-4-7(14(12)13)5-11-9(6)8/h1-3,5H,4H2
InChIKeyZKDRVCKTVXYPLU-UHFFFAOYSA-N
XLogP1.60
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.12
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 8-iodo-3-sulfonyl-4H-quinoline with MolForge

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

Launch Full Analysis

Related Compounds

7-iodo-3H-indole
CID 156577348
(3-oxo-4H-quinolin-8-yl)boronic acid
CID 67760056
4-iodo-1,3-dihydro-2-benzofuran
CID 134256715
1,2,3-triiodobenzene
CID 139071365
2-(2,6-diiodophenyl)-1,3-diiodobenzene
CID 91384938
4-iodo-9H-xanthene
CID 11045034
bicyclo[4.1.0]hepta-1,3,5-triene;hydrogen sulfite
CID 90002069
4-iodo-3H-indole
CID 147963478
9H-fluorene;3-iodo-9H-fluorene
CID 169429949
1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 102347214
1-iodo-2-methylsulfinylbenzene
CID 53256675
2-sulfonyl-3H-1-benzofuran-7-amine
CID 170944221

Frequently Asked Questions

What is the IUPAC name of 8-iodo-3-sulfonyl-4H-quinoline?
The IUPAC name of 8-iodo-3-sulfonyl-4H-quinoline (CID 87542348) is 8-iodo-3-sulfonyl-4H-quinoline.
What is the SMILES notation for 8-iodo-3-sulfonyl-4H-quinoline?
The canonical SMILES for 8-iodo-3-sulfonyl-4H-quinoline is O=S(=O)=C1C=Nc2c(I)cccc2C1.
What is the InChIKey of 8-iodo-3-sulfonyl-4H-quinoline?
The InChIKey is ZKDRVCKTVXYPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6INO2S/c10-8-3-1-2-6-4-7(14(12)13)5-11-9(6)8/h1-3,5H,4H2.
What are the key properties of 8-iodo-3-sulfonyl-4H-quinoline?
8-iodo-3-sulfonyl-4H-quinoline has a molecular weight of 319.12 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-3-sulfonyl-4H-quinoline is sourced from PubChem (CID 87542348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).